N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C37H38ClFN8O3 — CID 175976309

About N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175976309) has the molecular formula C37H38ClFN8O3 and a molecular weight of 697.22 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 175976309
• Molecular Formula: C37H38ClFN8O3
• Molecular Weight: 697.22 g/mol
• Exact Mass: 696.27
• IUPAC Name: N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-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)ncc1CNc1ccnc(C)c1F
• InChI: InChI=1S/C37H38ClFN8O3/c1-21-25(26-9-7-11-28(33(26)38)45-37(49)35-43-31-19-46(3)15-13-32(31)47(35)4)8-6-10-27(21)44-36(48)30-16-23(20-50-5)24(18-42-30)17-41-29-12-14-40-22(2)34(29)39/h6-12,14,16,18H,13,15,17,19-20H2,1-5H3,(H,40,41)(H,44,48)(H,45,49)
• InChIKey: PKVBPEIJNBBDQK-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 126.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.22
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175976309) is N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-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)ncc1CNc1ccnc(C)c1F.

What is the InChIKey of N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is PKVBPEIJNBBDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38ClFN8O3/c1-21-25(26-9-7-11-28(33(26)38)45-37(49)35-43-31-19-46(3)15-13-32(31)47(35)4)8-6-10-27(21)44-36(48)30-16-23(20-50-5)24(18-42-30)17-41-29-12-14-40-22(2)34(29)39/h6-12,14,16,18H,13,15,17,19-20H2,1-5H3,(H,40,41)(H,44,48)(H,45,49).

What are the key properties of N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 697.22 g/mol, XLogP of 6.54, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[5-[[(3-fluoro-2-methyl-4-pyridinyl)amino]methyl]-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175976309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).