N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

C27H27N7O4 — CID 156855030

About N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855030) has the molecular formula C27H27N7O4 and a molecular weight of 513.56 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 156855030
• Molecular Formula: C27H27N7O4
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.21
• IUPAC Name: N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CCO)n1
• InChI: InChI=1S/C27H27N7O4/c1-3-33-17-28-26(32-33)31-23(36)20-16-21-22(29-24(20)38-2)30-25(34(21)14-15-35)27(37,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,35,37H,3,14-15H2,1-2H3,(H,31,32,36)
• InChIKey: WQFOVRBDCUSROX-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 140.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855030) is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CCO)n1.

What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is WQFOVRBDCUSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4/c1-3-33-17-28-26(32-33)31-23(36)20-16-21-22(29-24(20)38-2)30-25(34(21)14-15-35)27(37,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,35,37H,3,14-15H2,1-2H3,(H,31,32,36).

What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-1-(2-hydroxyethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).