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

C85H68ClF5N12O9 — CID 158422395

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

N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 158422395) has the molecular formula C85H68ClF5N12O9 and a molecular weight of 1532.00 g/mol. Its IUPAC name is N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 158422395
• Molecular Formula: C85H68ClF5N12O9
• Molecular Weight: 1532.00 g/mol
• Exact Mass: 1530.48
• IUPAC Name: N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)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(OCc4ccc(C)cc4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4cccc(C(F)(F)F)c4)c(Cl)c3)c3cnccc32)c1
• InChI: InChI=1S/C29H20ClF3N4O3.C29H23FN4O3.C27H25FN4O3/c1-2-27(38)35-20-7-4-8-21(14-20)36-24-11-12-34-16-25(24)37(28(36)39)22-9-10-26(23(30)15-22)40-17-18-5-3-6-19(13-18)29(31,32)33;1-3-28(35)32-21-5-4-6-23(16-21)34-26-13-14-31-17-27(26)33(29(34)36)22-9-11-24(12-10-22)37-18-20-8-7-19(2)15-25(20)30;1-3-26(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-6-8-22(9-7-20)35-17-19-5-4-18(2)14-23(19)28/h2-16H,1,17H2,(H,35,38);3-17H,1,18H2,2H3,(H,32,35);3-10,12,14-15,21H,1,11,13,16-17H2,2H3/t;;21-/m..1/s1
• InChIKey: HAQJVCHTKWAZPY-KJUWDYDLSA-N
• XLogP: 16.05
• TPSA: 225.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.00
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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

The IUPAC name of N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 158422395) is N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)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-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)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(OCc4ccc(C)cc4F)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4cccc(C(F)(F)F)c4)c(Cl)c3)c3cnccc32)c1.

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

The InChIKey is HAQJVCHTKWAZPY-KJUWDYDLSA-N. The full InChI is InChI=1S/C29H20ClF3N4O3.C29H23FN4O3.C27H25FN4O3/c1-2-27(38)35-20-7-4-8-21(14-20)36-24-11-12-34-16-25(24)37(28(36)39)22-9-10-26(23(30)15-22)40-17-18-5-3-6-19(13-18)29(31,32)33;1-3-28(35)32-21-5-4-6-23(16-21)34-26-13-14-31-17-27(26)33(29(34)36)22-9-11-24(12-10-22)37-18-20-8-7-19(2)15-25(20)30;1-3-26(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-6-8-22(9-7-20)35-17-19-5-4-18(2)14-23(19)28/h2-16H,1,17H2,(H,35,38);3-17H,1,18H2,2H3,(H,32,35);3-10,12,14-15,21H,1,11,13,16-17H2,2H3/t;;21-/m..1/s1.

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

N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1532.00 g/mol, XLogP of 16.05, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 158422395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).