N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

C114H96FN17O12 — CID 159762283

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

N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 159762283) has the molecular formula C114H96FN17O12 and a molecular weight of 1915.13 g/mol. Its IUPAC name is N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 159762283
• Molecular Formula: C114H96FN17O12
• Molecular Weight: 1915.13 g/mol
• Exact Mass: 1913.74
• IUPAC Name: N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-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(OCc4ccccc4)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)c1
• InChI: InChI=1S/C30H25N5O3.C29H23FN4O3.C29H24N4O3.C26H24N4O3/c1-3-28(36)33-23-5-4-6-25(17-23)35-26-15-16-31-19-27(26)34(30(35)38)24-13-11-22(12-14-24)29(37)32-18-21-9-7-20(2)8-10-21;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;1-3-28(34)31-22-5-4-6-24(17-22)33-26-15-16-30-18-27(26)32(29(33)35)23-11-13-25(14-12-23)36-19-21-9-7-20(2)8-10-21;1-2-25(31)28-15-13-21(17-28)30-23-12-14-27-16-24(23)29(26(30)32)20-8-10-22(11-9-20)33-18-19-6-4-3-5-7-19/h3-17,19H,1,18H2,2H3,(H,32,37)(H,33,36);3-17H,1,18H2,2H3,(H,32,35);3-18H,1,19H2,2H3,(H,31,34);2-12,14,16,21H,1,13,15,17-18H2/t;;;21-/m...1/s1
• InChIKey: NFAWJZOIHFQHCI-JWAVSKPKSA-N
• XLogP: 18.78
• TPSA: 323.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.13
LogP ≤ 5	18.78
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-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 159762283) is N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-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-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-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(OCc4ccccc4)cc3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4)cc3)c3cnccc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)c1.

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

The InChIKey is NFAWJZOIHFQHCI-JWAVSKPKSA-N. The full InChI is InChI=1S/C30H25N5O3.C29H23FN4O3.C29H24N4O3.C26H24N4O3/c1-3-28(36)33-23-5-4-6-25(17-23)35-26-15-16-31-19-27(26)34(30(35)38)24-13-11-22(12-14-24)29(37)32-18-21-9-7-20(2)8-10-21;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;1-3-28(34)31-22-5-4-6-24(17-22)33-26-15-16-30-18-27(26)32(29(33)35)23-11-13-25(14-12-23)36-19-21-9-7-20(2)8-10-21;1-2-25(31)28-15-13-21(17-28)30-23-12-14-27-16-24(23)29(26(30)32)20-8-10-22(11-9-20)33-18-19-6-4-3-5-7-19/h3-17,19H,1,18H2,2H3,(H,32,37)(H,33,36);3-17H,1,18H2,2H3,(H,32,35);3-18H,1,19H2,2H3,(H,31,34);2-12,14,16,21H,1,13,15,17-18H2/t;;;21-/m...1/s1.

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

N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1915.13 g/mol, XLogP of 18.78, 27 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[3-[3-[4-[(4-methylphenyl)methoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;N-[(4-methylphenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;3-(4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 159762283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).