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

C107H98Cl2F2N16O12 — CID 157491757

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

3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157491757) has the molecular formula C107H98Cl2F2N16O12 and a molecular weight of 1908.96 g/mol. Its IUPAC name is 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 157491757
• Molecular Formula: C107H98Cl2F2N16O12
• Molecular Weight: 1908.96 g/mol
• Exact Mass: 1906.69
• IUPAC Name: 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-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(OCc4cc(F)ccc4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4Cl)c(Cl)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4C)cc3)c3cnccc32)C1
• InChI: InChI=1S/C27H24Cl2N4O3.2C27H26N4O3.C26H22F2N4O3/c1-3-26(34)31-11-9-20(15-31)33-23-8-10-30-14-24(23)32(27(33)35)19-6-7-25(22(29)13-19)36-16-18-5-4-17(2)12-21(18)28;1-3-26(32)29-14-12-22(17-29)31-24-11-13-28-16-25(24)30(27(31)33)21-7-9-23(10-8-21)34-18-20-6-4-5-19(2)15-20;1-3-26(32)29-15-13-22(17-29)31-24-12-14-28-16-25(24)30(27(31)33)21-8-10-23(11-9-21)34-18-20-7-5-4-6-19(20)2;1-2-25(33)30-12-10-20(15-30)32-23-9-11-29-14-24(23)31(26(32)34)19-4-6-21(7-5-19)35-16-17-13-18(27)3-8-22(17)28/h3-8,10,12-14,20H,1,9,11,15-16H2,2H3;3-11,13,15-16,22H,1,12,14,17-18H2,2H3;3-12,14,16,22H,1,13,15,17-18H2,2H3;2-9,11,13-14,20H,1,10,12,15-16H2/t20-;2*22-;20-/m1111/s1
• InChIKey: BXIYFRZMVXTSCC-VLTLUTDVSA-N
• XLogP: 17.41
• TPSA: 277.44 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.96
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
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 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 157491757) is 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one.

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

The canonical SMILES for 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-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(OCc4cc(F)ccc4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4Cl)c(Cl)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4C)cc3)c3cnccc32)C1.

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

The InChIKey is BXIYFRZMVXTSCC-VLTLUTDVSA-N. The full InChI is InChI=1S/C27H24Cl2N4O3.2C27H26N4O3.C26H22F2N4O3/c1-3-26(34)31-11-9-20(15-31)33-23-8-10-30-14-24(23)32(27(33)35)19-6-7-25(22(29)13-19)36-16-18-5-4-17(2)12-21(18)28;1-3-26(32)29-14-12-22(17-29)31-24-11-13-28-16-25(24)30(27(31)33)21-7-9-23(10-8-21)34-18-20-6-4-5-19(2)15-20;1-3-26(32)29-15-13-22(17-29)31-24-12-14-28-16-25(24)30(27(31)33)21-8-10-23(11-9-21)34-18-20-7-5-4-6-19(20)2;1-2-25(33)30-12-10-20(15-30)32-23-9-11-29-14-24(23)31(26(32)34)19-4-6-21(7-5-19)35-16-17-13-18(27)3-8-22(17)28/h3-8,10,12-14,20H,1,9,11,15-16H2,2H3;3-11,13,15-16,22H,1,12,14,17-18H2,2H3;3-12,14,16,22H,1,13,15,17-18H2,2H3;2-9,11,13-14,20H,1,10,12,15-16H2/t20-;2*22-;20-/m1111/s1.

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

3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1908.96 g/mol, XLogP of 17.41, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157491757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).