N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

C79H65Cl2FN12O9 — CID 159307756

About N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 159307756) has the molecular formula C79H65Cl2FN12O9 and a molecular weight of 1416.37 g/mol. Its IUPAC name is N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
• PubChem CID: 159307756
• Molecular Formula: C79H65Cl2FN12O9
• Molecular Weight: 1416.37 g/mol
• Exact Mass: 1414.44
• IUPAC Name: N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cncc(Cl)c32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4C)cc3)c3cnccc32)c1
• InChI: InChI=1S/C28H21ClN4O3.C26H23FN4O3.C25H21ClN4O3/c1-3-27(34)31-19-6-4-7-21(16-19)33-24-14-15-30-17-25(24)32(28(33)35)20-10-12-22(13-11-20)36-26-9-5-8-23(29)18(26)2;1-3-25(32)29-12-10-19(16-29)31-22-9-11-28-15-23(22)30(26(31)33)18-7-8-24(21(27)14-18)34-20-6-4-5-17(2)13-20;1-2-23(31)28-13-12-18(16-28)30-24-21(26)14-27-15-22(24)29(25(30)32)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h3-17H,1H2,2H3,(H,31,34);3-9,11,13-15,19H,1,10,12,16H2,2H3;2-11,14-15,18H,1,12-13,16H2/t;;18-/m..1/s1
• InChIKey: LCDCUDYZFGRIJG-WIOFRLMBSA-N
• XLogP: 15.03
• TPSA: 216.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.37
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	1
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-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The IUPAC name of N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one (CID 159307756) is N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC(n2c(=O)n(-c3ccc(Oc4cccc(C)c4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cncc(Cl)c32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(Oc4cccc(Cl)c4C)cc3)c3cnccc32)c1.

What is the InChIKey of N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

The InChIKey is LCDCUDYZFGRIJG-WIOFRLMBSA-N. The full InChI is InChI=1S/C28H21ClN4O3.C26H23FN4O3.C25H21ClN4O3/c1-3-27(34)31-19-6-4-7-21(16-19)33-24-14-15-30-17-25(24)32(28(33)35)20-10-12-22(13-11-20)36-26-9-5-8-23(29)18(26)2;1-3-25(32)29-12-10-19(16-29)31-22-9-11-28-15-23(22)30(26(31)33)18-7-8-24(21(27)14-18)34-20-6-4-5-17(2)13-20;1-2-23(31)28-13-12-18(16-28)30-24-21(26)14-27-15-22(24)29(25(30)32)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h3-17H,1H2,2H3,(H,31,34);3-9,11,13-15,19H,1,10,12,16H2,2H3;2-11,14-15,18H,1,12-13,16H2/t;;18-/m..1/s1.

What are the key properties of N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one?

N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 1416.37 g/mol, XLogP of 15.03, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(3-chloro-2-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[3-fluoro-4-(3-methylphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 159307756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).