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

C107H94Cl2FN17O12 — CID 157248570

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

3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 157248570) has the molecular formula C107H94Cl2FN17O12 and a molecular weight of 1899.94 g/mol. Its IUPAC name is 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 157248570
• Molecular Formula: C107H94Cl2FN17O12
• Molecular Weight: 1899.94 g/mol
• Exact Mass: 1897.66
• IUPAC Name: 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4)c(Cl)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccn4)cc3)c3cnccc32)c1
• InChI: InChI=1S/C27H25ClN4O3.C27H25FN4O3.C27H21N5O3.C26H23ClN4O3/c1-3-26(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(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-6-8-22(9-7-20)35-17-19-5-4-18(2)14-23(19)28;1-2-26(33)30-19-7-5-8-22(16-19)32-24-13-15-28-17-25(24)31(27(32)34)21-9-11-23(12-10-21)35-18-20-6-3-4-14-29-20;1-2-25(32)29-13-11-20(16-29)31-22-10-12-28-15-23(22)30(26(31)33)19-8-9-24(21(27)14-19)34-17-18-6-4-3-5-7-18/h2*3-10,12,14-15,21H,1,11,13,16-17H2,2H3;2-17H,1,18H2,(H,30,33);2-10,12,14-15,20H,1,11,13,16-17H2/t2*21-;;20-/m11.1/s1
• InChIKey: AWBNNTXAIQKRDG-IDGBMPPHSA-N
• XLogP: 17.51
• TPSA: 299.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.94
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	1
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-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (CID 157248570) is 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

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

The canonical SMILES for 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(C)cc4F)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccc(Cl)c(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(OCc4ccccc4)c(Cl)c3)c3cnccc32)C1.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(OCc4ccccn4)cc3)c3cnccc32)c1.

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

The InChIKey is AWBNNTXAIQKRDG-IDGBMPPHSA-N. The full InChI is InChI=1S/C27H25ClN4O3.C27H25FN4O3.C27H21N5O3.C26H23ClN4O3/c1-3-26(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(33)30-13-11-21(16-30)32-24-10-12-29-15-25(24)31(27(32)34)20-6-8-22(9-7-20)35-17-19-5-4-18(2)14-23(19)28;1-2-26(33)30-19-7-5-8-22(16-19)32-24-13-15-28-17-25(24)31(27(32)34)21-9-11-23(12-10-21)35-18-20-6-3-4-14-29-20;1-2-25(32)29-13-11-20(16-29)31-22-10-12-28-15-23(22)30(26(31)33)19-8-9-24(21(27)14-19)34-17-18-6-4-3-5-7-18/h2*3-10,12,14-15,21H,1,11,13,16-17H2,2H3;2-17H,1,18H2,(H,30,33);2-10,12,14-15,20H,1,11,13,16-17H2/t2*21-;;20-/m11.1/s1.

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

3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 1899.94 g/mol, XLogP of 17.51, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4-chloro-3-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-(3-chloro-4-phenylmethoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;N-[3-[2-oxo-3-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 157248570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).