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

C28H29N7O4 — CID 168678827

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

N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678827) has the molecular formula C28H29N7O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168678827
• Molecular Formula: C28H29N7O4
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CCOC)n1
• InChI: InChI=1S/C28H29N7O4/c1-4-34-18-29-27(33-34)32-24(36)21-17-22-23(30-25(21)39-3)31-26(35(22)15-16-38-2)28(37,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,37H,4,15-16H2,1-3H3,(H,32,33,36)
• InChIKey: CPRAJTWSFALNPF-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 129.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
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]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 168678827) is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[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]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CCOC)n1.

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

The InChIKey is CPRAJTWSFALNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c1-4-34-18-29-27(33-34)32-24(36)21-17-22-23(30-25(21)39-3)31-26(35(22)15-16-38-2)28(37,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,37H,4,15-16H2,1-3H3,(H,32,33,36).

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

N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 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]-5-methoxy-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).