N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

C113H84ClF5N16O12 — CID 158358133

About N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 158358133) has the molecular formula C113H84ClF5N16O12 and a molecular weight of 1988.46 g/mol. Its IUPAC name is N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 158358133
• Molecular Formula: C113H84ClF5N16O12
• Molecular Weight: 1988.46 g/mol
• Exact Mass: 1986.61
• IUPAC Name: N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4)c(F)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4C(F)(F)F)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4F)c(Cl)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(OCc4ccccc4)c3)c3cnccc32)c1
• InChI: InChI=1S/C29H21F3N4O3.C28H20ClFN4O3.C28H21FN4O3.C28H22N4O3/c1-2-27(37)34-20-7-5-8-22(16-20)36-25-14-15-33-17-26(25)35(28(36)38)21-10-12-23(13-11-21)39-18-19-6-3-4-9-24(19)29(30,31)32;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(22(29)15-21)37-17-18-6-3-4-9-23(18)30;1-2-27(34)31-20-9-6-10-21(15-20)32-24-13-14-30-17-25(24)33(28(32)35)22-11-12-26(23(29)16-22)36-18-19-7-4-3-5-8-19;1-2-27(33)30-21-10-6-11-22(16-21)31-25-14-15-29-18-26(25)32(28(31)34)23-12-7-13-24(17-23)35-19-20-8-4-3-5-9-20/h2-17H,1,18H2,(H,34,37);2-16H,1,17H2,(H,32,35);2-17H,1,18H2,(H,31,34);2-18H,1,19H2,(H,30,33)
• InChIKey: GTDCBASGEDUQNV-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 312.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.46
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	4
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-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (CID 158358133) is N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

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

The canonical SMILES for N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4)c(F)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4C(F)(F)F)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccc4F)c(Cl)c3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3cccc(OCc4ccccc4)c3)c3cnccc32)c1.

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

The InChIKey is GTDCBASGEDUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O3.C28H20ClFN4O3.C28H21FN4O3.C28H22N4O3/c1-2-27(37)34-20-7-5-8-22(16-20)36-25-14-15-33-17-26(25)35(28(36)38)21-10-12-23(13-11-21)39-18-19-6-3-4-9-24(19)29(30,31)32;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(22(29)15-21)37-17-18-6-3-4-9-23(18)30;1-2-27(34)31-20-9-6-10-21(15-20)32-24-13-14-30-17-25(24)33(28(32)35)22-11-12-26(23(29)16-22)36-18-19-7-4-3-5-8-19;1-2-27(33)30-21-10-6-11-22(16-21)31-25-14-15-29-18-26(25)32(28(31)34)23-12-7-13-24(17-23)35-19-20-8-4-3-5-9-20/h2-17H,1,18H2,(H,34,37);2-16H,1,17H2,(H,32,35);2-17H,1,18H2,(H,31,34);2-18H,1,19H2,(H,30,33).

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

N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 1988.46 g/mol, XLogP of 21.47, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-(3-phenylmethoxyphenyl)imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[2-oxo-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 158358133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).