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

C37H42ClFN8O4 — CID 165147576

About N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 165147576) has the molecular formula C37H42ClFN8O4 and a molecular weight of 717.25 g/mol. Its IUPAC name is N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 165147576
• Molecular Formula: C37H42ClFN8O4
• Molecular Weight: 717.25 g/mol
• Exact Mass: 716.30
• IUPAC Name: N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(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/C37H42ClFN8O4/c1-21-24(25-9-7-11-29(34(25)38)44-37(50)35-42-31-20-45(3)14-13-32(31)46(35)4)8-6-10-27(21)43-36(49)30-16-33(51-5)23(18-41-30)17-40-28-12-15-47(22(2)48)19-26(28)39/h6-11,16,18,26,28,40H,12-15,17,19-20H2,1-5H3,(H,43,49)(H,44,50)/t26-,28+/m1/s1
• InChIKey: CEKOWILALSDNMZ-IAPPQJPRSA-N
• XLogP: 4.99
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.25
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 165147576) is N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is CEKOWILALSDNMZ-IAPPQJPRSA-N. The full InChI is InChI=1S/C37H42ClFN8O4/c1-21-24(25-9-7-11-29(34(25)38)44-37(50)35-42-31-20-45(3)14-13-32(31)46(35)4)8-6-10-27(21)43-36(49)30-16-33(51-5)23(18-41-30)17-40-28-12-15-47(22(2)48)19-26(28)39/h6-11,16,18,26,28,40H,12-15,17,19-20H2,1-5H3,(H,43,49)(H,44,50)/t26-,28+/m1/s1.

What are the key properties of N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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 717.25 g/mol, XLogP of 4.99, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[5-[[[(3R,4S)-1-acetyl-3-fluoropiperidin-4-yl]amino]methyl]-4-methoxypyridine-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 165147576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).