N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C24H22N6O2 — CID 176503298

About N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503298) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 176503298
• Molecular Formula: C24H22N6O2
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2cnc3c(c2)ncn3-c2ccccc2)N1
• InChI: InChI=1S/C24H22N6O2/c31-22-10-9-19(28-22)15-29(14-18-6-4-5-11-25-18)24(32)17-12-21-23(26-13-17)30(16-27-21)20-7-2-1-3-8-20/h1-8,11-13,16,19H,9-10,14-15H2,(H,28,31)/t19-/m0/s1
• InChIKey: YLOSACPICQHGPT-IBGZPJMESA-N
• XLogP: 2.74
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176503298) is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2cnc3c(c2)ncn3-c2ccccc2)N1.

What is the InChIKey of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is YLOSACPICQHGPT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N6O2/c31-22-10-9-19(28-22)15-29(14-18-6-4-5-11-25-18)24(32)17-12-21-23(26-13-17)30(16-27-21)20-7-2-1-3-8-20/h1-8,11-13,16,19H,9-10,14-15H2,(H,28,31)/t19-/m0/s1.

What are the key properties of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).