N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C36H39ClF3N7O3 — CID 170734837

About N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170734837) has the molecular formula C36H39ClF3N7O3 and a molecular weight of 710.20 g/mol. Its IUPAC name is N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170734837
• Molecular Formula: C36H39ClF3N7O3
• Molecular Weight: 710.20 g/mol
• Exact Mass: 709.28
• IUPAC Name: N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cc1c(NC(=O)c2nc3c(n2C)CCN(CCCF)C3)cccc1-c1ccnc(-c2ccc(CNCC3CCC(=O)N3)c(OC(F)F)c2)c1Cl
• InChI: InChI=1S/C36H39ClF3N7O3/c1-21-25(5-3-6-27(21)45-35(49)34-44-28-20-47(15-4-13-38)16-12-29(28)46(34)2)26-11-14-42-33(32(26)37)22-7-8-23(30(17-22)50-36(39)40)18-41-19-24-9-10-31(48)43-24/h3,5-8,11,14,17,24,36,41H,4,9-10,12-13,15-16,18-20H2,1-2H3,(H,43,48)(H,45,49)
• InChIKey: VSRRZGIRVFTCHT-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.20
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170734837) is N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(n2C)CCN(CCCF)C3)cccc1-c1ccnc(-c2ccc(CNCC3CCC(=O)N3)c(OC(F)F)c2)c1Cl.

What is the InChIKey of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is VSRRZGIRVFTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39ClF3N7O3/c1-21-25(5-3-6-27(21)45-35(49)34-44-28-20-47(15-4-13-38)16-12-29(28)46(34)2)26-11-14-42-33(32(26)37)22-7-8-23(30(17-22)50-36(39)40)18-41-19-24-9-10-31(48)43-24/h3,5-8,11,14,17,24,36,41H,4,9-10,12-13,15-16,18-20H2,1-2H3,(H,43,48)(H,45,49).

What are the key properties of N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 710.20 g/mol, XLogP of 6.05, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-2-[3-(difluoromethoxy)-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-(3-fluoropropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170734837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).