N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

C112H89ClF4N16O12 — CID 157108582

About N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157108582) has the molecular formula C112H89ClF4N16O12 and a molecular weight of 1962.49 g/mol. Its IUPAC name is N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 157108582
• Molecular Formula: C112H89ClF4N16O12
• Molecular Weight: 1962.49 g/mol
• Exact Mass: 1960.65
• IUPAC Name: N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4cc(C)cc(F)c4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4F)c(F)c3)c3cnccc32)c1
• InChI: InChI=1S/C29H23ClN4O3.C29H23FN4O3.C28H20F2N4O3.C26H23FN4O3/c1-3-28(35)32-21-5-4-6-23(16-21)34-26-13-14-31-17-27(26)33(29(34)36)22-8-10-24(11-9-22)37-18-20-7-12-25(30)19(2)15-20;1-3-28(35)32-22-5-4-6-24(16-22)34-26-11-12-31-17-27(26)33(29(34)36)23-7-9-25(10-8-23)37-18-20-13-19(2)14-21(30)15-20;1-2-27(35)32-19-7-5-8-20(14-19)33-24-12-13-31-16-25(24)34(28(33)36)21-10-11-26(23(30)15-21)37-17-18-6-3-4-9-22(18)29;1-2-25(32)29-14-12-20(16-29)31-23-11-13-28-15-24(23)30(26(31)33)19-7-9-21(10-8-19)34-17-18-5-3-4-6-22(18)27/h2*3-17H,1,18H2,2H3,(H,32,35);2-16H,1,17H2,(H,32,35);2-11,13,15,20H,1,12,14,16-17H2/t;;;20-/m...1/s1
• InChIKey: AGOUZVHSILMSPU-ZAWNVZJDSA-N
• XLogP: 20.19
• TPSA: 303.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.49
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 157108582) is N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4cc(C)cc(F)c4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4F)c(F)c3)c3cnccc32)c1.

What is the InChIKey of N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is AGOUZVHSILMSPU-ZAWNVZJDSA-N. The full InChI is InChI=1S/C29H23ClN4O3.C29H23FN4O3.C28H20F2N4O3.C26H23FN4O3/c1-3-28(35)32-21-5-4-6-23(16-21)34-26-13-14-31-17-27(26)33(29(34)36)22-8-10-24(11-9-22)37-18-20-7-12-25(30)19(2)15-20;1-3-28(35)32-22-5-4-6-24(16-22)34-26-11-12-31-17-27(26)33(29(34)36)23-7-9-25(10-8-23)37-18-20-13-19(2)14-21(30)15-20;1-2-27(35)32-19-7-5-8-20(14-19)33-24-12-13-31-16-25(24)34(28(33)36)21-10-11-26(23(30)15-21)37-17-18-6-3-4-9-22(18)29;1-2-25(32)29-14-12-20(16-29)31-23-11-13-28-15-24(23)30(26(31)33)19-7-9-21(10-8-19)34-17-18-5-3-4-6-22(18)27/h2*3-17H,1,18H2,2H3,(H,32,35);2-16H,1,17H2,(H,32,35);2-11,13,15,20H,1,12,14,16-17H2/t;;;20-/m...1/s1.

What are the key properties of N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1962.49 g/mol, XLogP of 20.19, 27 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(3-fluoro-5-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157108582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).