3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one

C80H73Cl2FN12O10 — CID 158161901

About 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one

3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 158161901) has the molecular formula C80H73Cl2FN12O10 and a molecular weight of 1452.44 g/mol. Its IUPAC name is 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 158161901
• Molecular Formula: C80H73Cl2FN12O10
• Molecular Weight: 1452.44 g/mol
• Exact Mass: 1450.49
• IUPAC Name: 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
• SMILES: C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(CC)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cncc(Cl)c32)C1
• InChI: InChI=1S/C28H27FN4O3.C27H25ClN4O4.C25H21ClN4O3/c1-3-19-7-5-9-25(27(19)29)36-22-12-10-20(11-13-22)32-24-17-30-15-14-23(24)33(28(32)35)21-8-6-16-31(18-21)26(34)4-2;1-3-25(33)30-15-5-6-19(17-30)32-21-13-14-29-16-22(21)31(27(32)34)18-9-11-20(12-10-18)36-24-8-4-7-23(35-2)26(24)28;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/h4-5,7,9-15,17,21H,2-3,6,8,16,18H2,1H3;3-4,7-14,16,19H,1,5-6,15,17H2,2H3;2-11,14-15,18H,1,12-13,16H2/t21-;19-;18-/m111/s1
• InChIKey: FWJJHBRFAIMQIO-QOBRRLAOSA-N
• XLogP: 14.61
• TPSA: 217.31 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1452.44
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 158161901) is 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one is C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(CC)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccc(OC)c4Cl)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3cncc(Cl)c32)C1.

What is the InChIKey of 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is FWJJHBRFAIMQIO-QOBRRLAOSA-N. The full InChI is InChI=1S/C28H27FN4O3.C27H25ClN4O4.C25H21ClN4O3/c1-3-19-7-5-9-25(27(19)29)36-22-12-10-20(11-13-22)32-24-17-30-15-14-23(24)33(28(32)35)21-8-6-16-31(18-21)26(34)4-2;1-3-25(33)30-15-5-6-19(17-30)32-21-13-14-29-16-22(21)31(27(32)34)18-9-11-20(12-10-18)36-24-8-4-7-23(35-2)26(24)28;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/h4-5,7,9-15,17,21H,2-3,6,8,16,18H2,1H3;3-4,7-14,16,19H,1,5-6,15,17H2,2H3;2-11,14-15,18H,1,12-13,16H2/t21-;19-;18-/m111/s1.

What are the key properties of 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one?

3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 1452.44 g/mol, XLogP of 14.61, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-chloro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one;7-chloro-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one;3-[4-(3-ethyl-2-fluorophenoxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 158161901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).