2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide

C32H33FN6O2 — CID 139327615

About 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide

2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 139327615) has the molecular formula C32H33FN6O2 and a molecular weight of 552.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 139327615
• Molecular Formula: C32H33FN6O2
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.26
• IUPAC Name: 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: Cn1cc(-c2cc(F)cc(CNC(=O)c3nccc4nc(C5CCCC5)n(CCOCc5ccccc5)c34)c2)cn1
• InChI: InChI=1S/C32H33FN6O2/c1-38-20-26(19-36-38)25-15-23(16-27(33)17-25)18-35-32(40)29-30-28(11-12-34-29)37-31(24-9-5-6-10-24)39(30)13-14-41-21-22-7-3-2-4-8-22/h2-4,7-8,11-12,15-17,19-20,24H,5-6,9-10,13-14,18,21H2,1H3,(H,35,40)
• InChIKey: XFHIATRWLDAXNV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide (CID 139327615) is 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide is Cn1cc(-c2cc(F)cc(CNC(=O)c3nccc4nc(C5CCCC5)n(CCOCc5ccccc5)c34)c2)cn1.

What is the InChIKey of 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is XFHIATRWLDAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O2/c1-38-20-26(19-36-38)25-15-23(16-27(33)17-25)18-35-32(40)29-30-28(11-12-34-29)37-31(24-9-5-6-10-24)39(30)13-14-41-21-22-7-3-2-4-8-22/h2-4,7-8,11-12,15-17,19-20,24H,5-6,9-10,13-14,18,21H2,1H3,(H,35,40).

What are the key properties of 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide?

2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 552.65 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 139327615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).