Chemical Compound

SCHEMBL31097304

SCHEMBL31097304 chemical structure
Primary Record

SCHEMBL31097304

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
172164413
SMILES
C[C@]1(CCCN(C1)C2=NC(=NC3=C2CN(C3)C(=O)C4=C5C(=CC(=C4)O)C=CC=C5I)OCC6(CC6)CN7CC[C@@H]8[C@@H](C8C#N)CC7)O
Canonical SMILES
C[C@@]1(O)CCCN(c2nc(OCC3(CN4CC[C@@H]5C(C#N)[C@@H]5CC4)CC3)nc3c2CN(C(=O)c2cc(O)cc4cccc(I)c24)C3)C1

Names & Synonyms

  • SCHEMBL31097304
  • BDBM698890
  • BDBM698891
  • US20240317759, Example 99
  • US20240317759, Example 100
  • (1R,7S,8R)-4-((1-(((4-((R)-3-hydroxy-3- methylpiperidin-1-yl)-6-(3-hydroxy-8-iodo-1- naphthoyl)-6,7-dihydro-5H-pyrrolo[3,4- d]pyrimidin-2- yl)oxy)methyl)cyclopropyl)methyl)-4- azabicyclo[5.1.0]octane-8-carbonitrile
  • (1R,7S,8S)-4-((1-(((4-((R)-3-hydroxy-3- methylpiperidin-1-yl)-6-(3-hydroxy-8-iodo-1- naphthoyl)-6,7-dihydro-5H-pyrrolo[3,4- d]pyrimidin-2- yl)oxy)methyl)cyclopropyl)methyl)-4- azabicyclo[5.1.0]octane-8-carbonitrile