Chemical Compound

CHEMBL5840139

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CHEMBL5840139 chemical structure
Primary Record

CHEMBL5840139

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
164607493
SMILES
CC(C)(CN1C=C(C=N1)N2C[C@@H](C[C@H](C2)F)C3=NN4C(=N3)C5=C(C(=CC(=C5)F)OC)N=C4NCC6=C(C=C(C=C6)OC)OC)O
Canonical SMILES
COc1ccc(CNc2nc3c(OC)cc(F)cc3c3nc([C@@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nn23)c(OC)c1

Names & Synonyms

  • CHEMBL5840139
  • BDBM551528
  • US11312719, Example 74
  • Step 1: rac-1-(4-((3R,5R or 3S,5S)-3 (5-((2,4-dimethoxybenzyl)amino)-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-fluoropiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol