N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C38H44ClFN8O4 — CID 175976307

About N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175976307) has the molecular formula C38H44ClFN8O4 and a molecular weight of 731.27 g/mol. Its IUPAC name is N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 175976307
• Molecular Formula: C38H44ClFN8O4
• Molecular Weight: 731.27 g/mol
• Exact Mass: 730.32
• IUPAC Name: N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CN[C@@H]1CCN(C(C)=O)C[C@@H]1F
• InChI: InChI=1S/C38H44ClFN8O4/c1-22-26(27-9-7-11-31(35(27)39)45-38(51)36-43-33-20-46(3)14-13-34(33)47(36)4)8-6-10-29(22)44-37(50)32-16-24(21-52-5)25(18-42-32)17-41-30-12-15-48(23(2)49)19-28(30)40/h6-11,16,18,28,30,41H,12-15,17,19-21H2,1-5H3,(H,44,50)(H,45,51)/t28-,30+/m0/s1
• InChIKey: ZXWYCXHOTPPRGC-MFMCTBQISA-N
• XLogP: 5.13
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.27
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175976307) is N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CN[C@@H]1CCN(C(C)=O)C[C@@H]1F.

What is the InChIKey of N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is ZXWYCXHOTPPRGC-MFMCTBQISA-N. The full InChI is InChI=1S/C38H44ClFN8O4/c1-22-26(27-9-7-11-31(35(27)39)45-38(51)36-43-33-20-46(3)14-13-34(33)47(36)4)8-6-10-29(22)44-37(50)32-16-24(21-52-5)25(18-42-32)17-41-30-12-15-48(23(2)49)19-28(30)40/h6-11,16,18,28,30,41H,12-15,17,19-21H2,1-5H3,(H,44,50)(H,45,51)/t28-,30+/m0/s1.

What are the key properties of N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 731.27 g/mol, XLogP of 5.13, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[5-[[[(3S,4R)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175976307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).