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

C26H26N8O4 — CID 168678839

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

1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678839) has the molecular formula C26H26N8O4 and a molecular weight of 514.55 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168678839
• Molecular Formula: C26H26N8O4
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.21
• IUPAC Name: 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(C(=O)Nc3ncn(CCO)n3)cc21
• InChI: InChI=1S/C26H26N8O4/c1-3-34-19-15-18(22(36)31-25-28-16-33(32-25)13-14-35)23(38-2)29-21(19)30-24(34)26(37,17-9-5-4-6-10-17)20-11-7-8-12-27-20/h4-12,15-16,35,37H,3,13-14H2,1-2H3,(H,31,32,36)
• InChIKey: NPIVKCKHXZEASR-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 153.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 168678839) is 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(C(=O)Nc3ncn(CCO)n3)cc21.

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

The InChIKey is NPIVKCKHXZEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O4/c1-3-34-19-15-18(22(36)31-25-28-16-33(32-25)13-14-35)23(38-2)29-21(19)30-24(34)26(37,17-9-5-4-6-10-17)20-11-7-8-12-27-20/h4-12,15-16,35,37H,3,13-14H2,1-2H3,(H,31,32,36).

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

1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).