6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile

C80H72Cl5F3N16O6 — CID 158362819

About 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile

6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile (PubChem CID 158362819) has the molecular formula C80H72Cl5F3N16O6 and a molecular weight of 1587.82 g/mol. Its IUPAC name is 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile.

Molecular Properties

• Compound Name: 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
• PubChem CID: 158362819
• Molecular Formula: C80H72Cl5F3N16O6
• Molecular Weight: 1587.82 g/mol
• Exact Mass: 1584.42
• IUPAC Name: 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
• SMILES: C=CCn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(C)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3C#N)c21.Cn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21
• InChI: InChI=1S/C19H22ClN3O2.C18H17ClN4O.C15H13ClFN3O.C15H11ClFN3O.C13H9ClFN3O/c1-4-14(5-2)23-17-16(13-8-6-12(7-9-13)11(3)24)15(20)10-21-18(17)22-19(23)25;1-3-12(4-2)23-16-15(13-8-6-5-7-11(13)9-20)14(19)10-21-17(16)22-18(23)24;1-8(2)20-13-12(9-3-5-10(17)6-4-9)11(16)7-18-14(13)19-15(20)21;1-2-7-20-13-12(9-3-5-10(17)6-4-9)11(16)8-18-14(13)19-15(20)21;1-18-11-10(7-2-4-8(15)5-3-7)9(14)6-16-12(11)17-13(18)19/h6-11,14,24H,4-5H2,1-3H3,(H,21,22,25);5-8,10,12H,3-4H2,1-2H3,(H,21,22,24);3-8H,1-2H3,(H,18,19,21);2-6,8H,1,7H2,(H,18,19,21);2-6H,1H3,(H,16,17,19)
• InChIKey: GTRBRDQWIOBQPA-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 297.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1587.82
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?

The IUPAC name of 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile (CID 158362819) is 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile.

What is the SMILES notation for 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?

The canonical SMILES for 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile is C=CCn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(C)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3C#N)c21.Cn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.

What is the InChIKey of 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?

The InChIKey is GTRBRDQWIOBQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.C18H17ClN4O.C15H13ClFN3O.C15H11ClFN3O.C13H9ClFN3O/c1-4-14(5-2)23-17-16(13-8-6-12(7-9-13)11(3)24)15(20)10-21-18(17)22-19(23)25;1-3-12(4-2)23-16-15(13-8-6-5-7-11(13)9-20)14(19)10-21-17(16)22-18(23)24;1-8(2)20-13-12(9-3-5-10(17)6-4-9)11(16)7-18-14(13)19-15(20)21;1-2-7-20-13-12(9-3-5-10(17)6-4-9)11(16)8-18-14(13)19-15(20)21;1-18-11-10(7-2-4-8(15)5-3-7)9(14)6-16-12(11)17-13(18)19/h6-11,14,24H,4-5H2,1-3H3,(H,21,22,25);5-8,10,12H,3-4H2,1-2H3,(H,21,22,24);3-8H,1-2H3,(H,18,19,21);2-6,8H,1,7H2,(H,18,19,21);2-6H,1H3,(H,16,17,19).

What are the key properties of 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?

6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile has a molecular weight of 1587.82 g/mol, XLogP of 18.59, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(4-fluorophenyl)-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(1-hydroxyethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;2-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile is sourced from PubChem (CID 158362819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).