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

C106H98Cl2FN17O12 — CID 157336660

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

3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 157336660) has the molecular formula C106H98Cl2FN17O12 and a molecular weight of 1891.96 g/mol. Its IUPAC name is 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 157336660
• Molecular Formula: C106H98Cl2FN17O12
• Molecular Weight: 1891.96 g/mol
• Exact Mass: 1889.69
• IUPAC Name: 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)c(Cl)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(F)c(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccn4)cc3)c3cnccc32)C1
• InChI: InChI=1S/C27H24Cl2N4O3.C27H25FN4O3.C27H26N4O3.C25H23N5O3/c1-3-26(34)31-11-9-20(15-31)33-23-8-10-30-14-24(23)32(27(33)35)19-5-7-25(22(29)13-19)36-16-18-4-6-21(28)17(2)12-18;1-3-26(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-5-7-22(8-6-20)35-17-19-4-9-23(28)18(2)14-19;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)34-18-20-6-4-19(2)5-7-20;1-2-24(31)28-14-11-20(16-28)30-22-10-13-26-15-23(22)29(25(30)32)19-6-8-21(9-7-19)33-17-18-5-3-4-12-27-18/h3-8,10,12-14,20H,1,9,11,15-16H2,2H3;3-10,12,14-15,21H,1,11,13,16-17H2,2H3;3-12,14,16,22H,1,13,15,17-18H2,2H3;2-10,12-13,15,20H,1,11,14,16-17H2/t20-;21-;22-;20-/m1111/s1
• InChIKey: BFXLVSZQPKHMTD-YOSOEBQZSA-N
• XLogP: 16.67
• TPSA: 290.33 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.96
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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

The IUPAC name of 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one (CID 157336660) is 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one.

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

The canonical SMILES for 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)c(Cl)c3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(F)c(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccn4)cc3)c3cnccc32)C1.

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

The InChIKey is BFXLVSZQPKHMTD-YOSOEBQZSA-N. The full InChI is InChI=1S/C27H24Cl2N4O3.C27H25FN4O3.C27H26N4O3.C25H23N5O3/c1-3-26(34)31-11-9-20(15-31)33-23-8-10-30-14-24(23)32(27(33)35)19-5-7-25(22(29)13-19)36-16-18-4-6-21(28)17(2)12-18;1-3-26(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-5-7-22(8-6-20)35-17-19-4-9-23(28)18(2)14-19;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)34-18-20-6-4-19(2)5-7-20;1-2-24(31)28-14-11-20(16-28)30-22-10-13-26-15-23(22)29(25(30)32)19-6-8-21(9-7-19)33-17-18-5-3-4-12-27-18/h3-8,10,12-14,20H,1,9,11,15-16H2,2H3;3-10,12,14-15,21H,1,11,13,16-17H2,2H3;3-12,14,16,22H,1,13,15,17-18H2,2H3;2-10,12-13,15,20H,1,11,14,16-17H2/t20-;21-;22-;20-/m1111/s1.

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

3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1891.96 g/mol, XLogP of 16.67, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 157336660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).