Example 7-3 - Compound Search

3-(4-((R)-4,4-difluoro-2-methylpiperidin-1-yl)-7-(1H-pyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane, and 3-(4-((S)-4,4-difluoro-2-methylpiperidin-1-yl)-7-(1H-pyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane PubChem CID 167436910

C[C@H]1CC(F)(F)CCN1c1cc(N2CC3CCC(C2)O3)nn2c(-c3ccn[nH]3)ncc12

5-[4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)- 4-fluoro-1-(3-fluorocyclobutane- carbonyl)pyrrolidin-3-yl]-2- (deutero)methoxypyridine-3- carboxamide PubChem CID 168058999

COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2CC(F)C2)C[C@@H]1F

3-((7-(3-(((3aR,6aR)- hexahydropyrrolo[3,4-b]pyrrol-1(2H)- yl)methyl)-4-methyl-6- (trifluoromethyl)pyridin-2- yl)thieno[3,2-b]pyridin-2-yl)methyl)- 6,6-dimethyl-3- azabicyclo[3.1.0]hexane-2,4-dione trihydrochloride PubChem CID 168844379

Cc1cc(C(F)(F)F)nc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1C(=O)N1CC[C@@H]2CNC[C@@H]21

5-fluoro-7-((S)-3-fluoro-3- methylbutan-2-yl)-2-(((3S,4R)-3- hydroxytetrahydro-2H-pyran-4- yl)amino)pyrrolo[2,1-f][1,2,4]triazine- 6-carbonitrile (single diastereoisomer, Lux Cellulose, Hexane/EtOH = 90/10, 2nd peak) PubChem CID 169116917

CC(c1c(C#N)c(F)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12)C(C)(C)F

7-((R)-3-fluoro-3-methylbutan-2-yl)- 2-(((3S,4R)-3-hydroxytetrahydro-2H- pyran-4-yl)amino)-5- methylpyrrolo[2,1-f][1,2,4]triazine-6- carbonitrile (single diastereoisomer, Chiral ART Cellulose-SA, Hexane:EtOH = 70:30, 2nd peak) PubChem CID 169116980

Cc1c(C#N)c(C(C)C(C)(C)F)n2nc(N[C@@H]3CCOC[C@H]3O)ncc12

5-chloro-7-(3-fluoro-3-methylbutan-2- yl)-2-(((35,4R)-3-hydroxytetrahydro- 2H-pyran-4-yl)amino)pyrrolo[2,1- f][1,2,4]triazine-6-carbonitrile PubChem CID 169117651

CC(c1c(C#N)c(Cl)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12)C(C)(C)F

7-(3-fluoro-3-methylbutan-2-yl)-2- (((3S,4R)-3-hydroxytetrahydro-2H- pyran-4-yl)amino)-5- (trifluoromethyl)pyrrolo[2,1- /][1,2,4]triazine-6-carbonitrile PubChem CID 169117950

CC(c1c(C#N)c(C(F)(F)F)c2cnc(N[C@@H]3CCOC[C@H]3O)nn12)C(C)(C)F

5-fluoro-2-(((3R,4R)-3-fluoro-1- (methylsulfonyl)piperidin-4- yl)amino)-7-(trans-3- fluorocyclopentyl)pyrrolo[2,1- f][1,2,4]triazine-6-carbonitrile (From the 1st peak of chiral intermediate 3) PubChem CID 169118053

CS(=O)(=O)N1CC[C@@H](Nc2ncc3c(F)c(C#N)c(C4CCC(F)C4)n3n2)[C@H](F)C1

9-(4-((1-(3-fluoropropyl)azetidin-3- ylidene)methyl)phenyl)-8-(trans-4- methylcyclohexyl)-6,7-dihydro-5H- benzo[7]annulene-3-carboxylic acid PubChem CID 169239553

CC1CCC(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)CC1

(1S,3''R,6''R,7''R,8''E,9a$#8243;R,11''S, 12''R)-6-chloro-8$#8243;,11'',12''- trimethyl- 1$#8243;,3,4,6$#8243;,7$#8243;,8$#8243;,9$#8243;,9a$#8243;- octahydro-2H,15''H- dispiro[naphthalene-1,22''- [20]oxa[13]thia[1,14] diazatetracyclo [14.7.2.0~3,6~.0~19,24~] pentacosa[8,16,18,24]tetraene- 7'',3$#8243;-pyrazino[2,1- c][1,4]oxazin1-15''-one 13'',13''- dioxide PubChem CID 138668311

C[C@@H]1[C@@H](C)C/C=C/[C@]2(CN3CCN(C)C[C@@H]3CO2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O

(1S,3''''R,6''''R,7''''R,8''''E,9a$#8243;R,11''''S, 12''''R)-6-chloro-8$#8243;,11'''',12''''- trimethyl- 1$#8243;,3,4,6$#8243;,7$#8243;,8$#8243;,9$#8243;,9a$#8243;- octahydro-2H,15''''H- dispiro[naphthalene-1,22''''- [20]oxa[13]thia[1,14] diazatetracyclo [14.7.2.0~3,6~.0~19,24~] pentacosa[8,16,18,24]tetraene- 7'''',3$#8243;-pyrazino[2,1- c][1,4]oxazin1-15''''-one 13'''',13''''- dioxide PubChem CID 138668816

C[C@@H]1[C@@H](C)C/C=C/[C@]2(CN3CCN(C)C[C@H]3CO2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O

(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-methoxy-11'''',12''''- dimethyl-7''''-(((9aR)-8-(3- (phenylsulfonyl)propanoyl) octahydro-2H-pyrazino[1,2- a]pyrazin-2-yl)methyl)-3,4- dihydro-2H,15''''H- spiro[naphthalene-1,22''''- [20]oxa[13]thia[1,14] diazatetracyclo [14.7.2.0~3,6~.0~19,24~] pentacosa[8,16,18,24]tetraen]- 15''''-one 13,13-dioxide PubChem CID 140924887

CO[C@@]1(CN2CCN3CCN(C(=O)CCS(=O)(=O)c4ccccc4)C[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3

(1S,3''R,6''R,7''R,9a″S,11''S,12''R)-6-chloro-11'',12''-dimethyl-3,4,6″,7″,9″,9a″-hexahydro-1″H,2H,15''H-dispiro[naphthalene-1,22''-[20]oxa[13]thia[1,14]diazatetracyclo[14.7.2.03,6.019,24]pentacosa[16,18,24]triene-7'',3″-[1,4]oxazino[3,4-c][1,4]oxazin]-15''-one 13'',13''-dioxide PubChem CID 141674444

C[C@@H]1[C@@H](C)CCC[C@](O)(CN2CCOC[C@H]2CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O

5-amino-3- [(5R,7R,8R,12aR,14R,15S,15aR,16S)-14-(7- amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)- 15-fluoro-16-hydroxy-2,10-dioxido-2,10- disulfanyloctahydro-12H-5,8-methanofuro[3,2- l][1,3,9,11,6,2,10] tetraoxathiadiphosphacyclotetradecin- 7-yl]-3,6-dihydro-7H-[1,2,3] triazolo[4,5-d]pyrimidin-7-one (Diastereomer 1) PubChem CID 166177576

N=C1N=C2C(N=NN2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ncnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3O)C(=O)N1

5-amino-3- [(5R,7R,8S,12aR,14R,15S,15aR,16R)-14-(7- amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)- 15,16-difluoro-2,10-dihydroxy-2,10- disulfidooctahydro-12H-5,8-methanofuro[3,2- l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetra- decin-7-yl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5- d]pyrimidin-7-one (Diastereomer 1) PubChem CID 166177597

N=C1N=C2C(N=NN2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@@H]3F)C(=O)N1

5-amino-3- [(5R,7R,8R,12aR,14R,15S,15aR,16S)-14-(7- amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)- 15,16-difluoro-2,10-dioxido-2,10- disulfanyloctahydro-12H-5,8-methanofuro[3,2- l][1,3,9,11,6,2,10]tetraoxathi adiphosphacyclotetra- decin-7-yl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5- d]pyrimidin-7-one (Diastereomer 1) PubChem CID 166177609

N=C1N=C2C(N=NN2[C@@H]2S[C@@H]3COP(O)(=S)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ncnc65)O[C@@H]4COP(=O)(S)O[C@@H]2[C@@H]3F)C(=O)N1

5-amino-3-[(5R,7R,8R,12aR,14R,15S,15aR,16S)- 14-(7-amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin- 3-yl)-15-fluoro-2,16-dihydroxy-2,10-dioxido-10- sulfanyloctahydro-12H-5,8-methanofuro[3,2- 1][1,3,9,11,6,2,10]tetraoxathiadiphosphacyclo- tetradecin-7-yl]-3,6-dihydro-7H-[1,2,3]triazolo [4,5-d]pyrimidin-7-one (Diastereomer 1) PubChem CID 166177628

Nc1ncnc2c1nnn2[C@@H]1O[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@H]2[C@@H]1F)S[C@H]3N1NNC2C(=O)NC(N)NC21

Methyl 3-((9aR)-8-(((1S,3''R,6''R,7''R,11''S,12''R)-6-chloro-7''-hydroxy-11'',12''-dimethyl-13'',13''-dioxido-15''-oxo-3,4-dihydro-2H-spiro[naphthalene-1,22-[20]oxa[13]thia[1,14]diazatetracyclo[14.7.2.03,6.019,24]pentacosa[16,18,24]trien]-7''-yl)methyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)propanoate PubChem CID 166595726

COC(=O)CCN1CCN2CCN(C[C@@]3(O)CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c4ccc5c(c4)N(C[C@@H]4CC[C@H]43)C[C@@]3(CCCc4cc(Cl)ccc43)CO5)CC2C1

(7''S)-7''-(3,5- difluorophenyl)-1-(6- fluoropyridin-2-yl)dihydro- 1''H,3''H,5''H- spiro[piperidine-4,2''- pyrazolo[1,2-a]pyrazol]-1''- one PubChem CID 175664566

O=C1N2[C@H](c3cc(F)cc(F)c3)CCN2CC12CCN(c1cccc(F)n1)CC2

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[3-(difluoromethoxy)-3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxypyridine-3-carboxamide PubChem CID 139364791

COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)NCC(C)(O)C(OC(F)F)c1ccc(F)cc1

Compound Database