4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C31H31N7O — CID 118647575

About 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647575) has the molecular formula C31H31N7O and a molecular weight of 517.64 g/mol. Its IUPAC name is 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
• PubChem CID: 118647575
• Molecular Formula: C31H31N7O
• Molecular Weight: 517.64 g/mol
• Exact Mass: 517.26
• IUPAC Name: 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
• SMILES: CN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)nc(C3CC3)n4C)n3cncc23)C1
• InChI: InChI=1S/C31H31N7O/c1-36-11-3-4-21(17-36)18-39-28-13-25(22-7-5-20(14-32)6-8-22)29(38-19-33-16-27(28)38)24-12-26-31(34-15-24)37(2)30(35-26)23-9-10-23/h5-8,12-13,15-16,19,21,23H,3-4,9-11,17-18H2,1-2H3/t21-/m1/s1
• InChIKey: OGJUETMHBZQVPI-OAQYLSRUSA-N
• XLogP: 5.42
• TPSA: 84.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.64
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The IUPAC name of 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647575) is 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

What is the SMILES notation for 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The canonical SMILES for 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is CN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)nc(C3CC3)n4C)n3cncc23)C1.

What is the InChIKey of 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

The InChIKey is OGJUETMHBZQVPI-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H31N7O/c1-36-11-3-4-21(17-36)18-39-28-13-25(22-7-5-20(14-32)6-8-22)29(38-19-33-16-27(28)38)24-12-26-31(34-15-24)37(2)30(35-26)23-9-10-23/h5-8,12-13,15-16,19,21,23H,3-4,9-11,17-18H2,1-2H3/t21-/m1/s1.

What are the key properties of 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?

4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 517.64 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-cyclopropyl-3-methylimidazo[4,5-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).