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

C30H28N8O3 — CID 168678823

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

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678823) has the molecular formula C30H28N8O3 and a molecular weight of 548.61 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168678823
• Molecular Formula: C30H28N8O3
• Molecular Weight: 548.61 g/mol
• Exact Mass: 548.23
• IUPAC Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccc4ccccc4n2)n3CC)n1
• InChI: InChI=1S/C30H28N8O3/c1-4-37-18-31-29(36-37)35-26(39)21-17-23-25(33-27(21)41-3)34-28(38(23)5-2)30(40,20-12-7-6-8-13-20)24-16-15-19-11-9-10-14-22(19)32-24/h6-18,40H,4-5H2,1-3H3,(H,35,36,39)
• InChIKey: AQWZAXKORONZRF-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 132.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 168678823) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccc4ccccc4n2)n3CC)n1.

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

The InChIKey is AQWZAXKORONZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O3/c1-4-37-18-31-29(36-37)35-26(39)21-17-23-25(33-27(21)41-3)34-28(38(23)5-2)30(40,20-12-7-6-8-13-20)24-16-15-19-11-9-10-14-22(19)32-24/h6-18,40H,4-5H2,1-3H3,(H,35,36,39).

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

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-quinolin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).