5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C35H36ClFN6O4 — CID 170735019

About 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735019) has the molecular formula C35H36ClFN6O4 and a molecular weight of 659.16 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735019
• Molecular Formula: C35H36ClFN6O4
• Molecular Weight: 659.16 g/mol
• Exact Mass: 658.25
• IUPAC Name: 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3C)c2Cl)cc(F)c1C=O
• InChI: InChI=1S/C35H36ClFN6O4/c1-20-24(25-8-12-38-33(32(25)36)22-16-27(37)26(19-44)31(17-22)47-4)6-5-7-28(20)40-35(46)34-39-29-18-43(15-11-30(29)41(34)3)23-9-13-42(14-10-23)21(2)45/h5-8,12,16-17,19,23H,9-11,13-15,18H2,1-4H3,(H,40,46)
• InChIKey: LJFIJNYQJRKQHM-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 109.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.16
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735019) is 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3C)c2Cl)cc(F)c1C=O.

What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is LJFIJNYQJRKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClFN6O4/c1-20-24(25-8-12-38-33(32(25)36)22-16-27(37)26(19-44)31(17-22)47-4)6-5-7-28(20)40-35(46)34-39-29-18-43(15-11-30(29)41(34)3)23-9-13-42(14-10-23)21(2)45/h5-8,12,16-17,19,23H,9-11,13-15,18H2,1-4H3,(H,40,46).

What are the key properties of 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 659.16 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-acetylpiperidin-4-yl)-N-[3-[3-chloro-2-(3-fluoro-4-formyl-5-methoxyphenyl)-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).