N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H22N6O2 — CID 46937550

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46937550) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• PubChem CID: 46937550
• Molecular Formula: C20H22N6O2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.18
• IUPAC Name: N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• SMILES: COc1ccc2nc(CCNC(=O)c3cccn4c(C(C)C)nnc34)[nH]c2c1
• InChI: InChI=1S/C20H22N6O2/c1-12(2)18-24-25-19-14(5-4-10-26(18)19)20(27)21-9-8-17-22-15-7-6-13(28-3)11-16(15)23-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,27)(H,22,23)
• InChIKey: FBYHOBDGLBIOHL-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46937550) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccc2nc(CCNC(=O)c3cccn4c(C(C)C)nnc34)[nH]c2c1.

What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The InChIKey is FBYHOBDGLBIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12(2)18-24-25-19-14(5-4-10-26(18)19)20(27)21-9-8-17-22-15-7-6-13(28-3)11-16(15)23-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,27)(H,22,23).

What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).