6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile

C90H96Cl5N17O9S — CID 159863311

IUPAC6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
SMILESCCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(N)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(S(C)(=O)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C#N)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CO)c3)c21
InChIInChI=1S/C18H19ClN4O2.C18H17ClN4O.C18H20ClN3O3S.C18H20ClN3O2.C18H20ClN3O/c1-3-12(4-2)23-15-14(10-5-7-11(8-6-10)16(20)24)13(19)9-21-17(15)22-18(23)25;1-3-13(4-2)23-16-15(12-7-5-6-11(8-12)9-20)14(19)10-21-17(16)22-18(23)24;1-4-12(5-2)22-16-15(14(19)10-20-17(16)21-18(22)23)11-6-8-13(9-7-11)26(3,24)25;1-3-13(4-2)22-16-15(12-7-5-6-11(8-12)10-23)14(19)9-20-17(16)21-18(22)24;1-4-13(5-2)22-16-15(12-8-6-11(3)7-9-12)14(19)10-20-17(16)21-18(22)23/h5-9,12H,3-4H2,1-2H3,(H2,20,24)(H,21,22,25);5-8,10,13H,3-4H2,1-2H3,(H,21,22,24);6-10,12H,4-5H2,1-3H3,(H,20,21,23);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24);6-10,13H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyNRKOWKNUVMYHOS-UHFFFAOYSA-N
MW1769.20 g/mol
LogP20.21
Rot. Bonds23

About 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile

6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile (PubChem CID 159863311) has the molecular formula C90H96Cl5N17O9S and a molecular weight of 1769.20 g/mol. Its IUPAC name is 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile.

Molecular Properties

Compound Name6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
PubChem CID159863311
Molecular FormulaC90H96Cl5N17O9S
Molecular Weight1769.20 g/mol
Exact Mass1765.57
IUPAC Name6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile
SMILESCCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(N)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(S(C)(=O)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C#N)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CO)c3)c21
InChIInChI=1S/C18H19ClN4O2.C18H17ClN4O.C18H20ClN3O3S.C18H20ClN3O2.C18H20ClN3O/c1-3-12(4-2)23-15-14(10-5-7-11(8-6-10)16(20)24)13(19)9-21-17(15)22-18(23)25;1-3-13(4-2)23-16-15(12-7-5-6-11(8-12)9-20)14(19)10-21-17(16)22-18(23)24;1-4-12(5-2)22-16-15(14(19)10-20-17(16)21-18(22)23)11-6-8-13(9-7-11)26(3,24)25;1-3-13(4-2)22-16-15(12-7-5-6-11(8-12)10-23)14(19)9-20-17(16)21-18(22)24;1-4-13(5-2)22-16-15(12-8-6-11(3)7-9-12)14(19)10-20-17(16)21-18(22)23/h5-9,12H,3-4H2,1-2H3,(H2,20,24)(H,21,22,25);5-8,10,13H,3-4H2,1-2H3,(H,21,22,24);6-10,12H,4-5H2,1-3H3,(H,20,21,23);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24);6-10,13H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyNRKOWKNUVMYHOS-UHFFFAOYSA-N
XLogP20.21
TPSA374.65 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.20
LogP ≤ 520.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile with MolForge

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Related Compounds

6-chloro-7-[4-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[4-(2-hydroxypropan-2-yl)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)benzoic acid;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoic acid;methyl 3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzoate
CID 158474971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?
The IUPAC name of 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile (CID 159863311) is 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(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-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?
The canonical SMILES for 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(N)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(S(C)(=O)=O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C#N)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CO)c3)c21.
What is the InChIKey of 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?
The InChIKey is NRKOWKNUVMYHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2.C18H17ClN4O.C18H20ClN3O3S.C18H20ClN3O2.C18H20ClN3O/c1-3-12(4-2)23-15-14(10-5-7-11(8-6-10)16(20)24)13(19)9-21-17(15)22-18(23)25;1-3-13(4-2)23-16-15(12-7-5-6-11(8-12)9-20)14(19)10-21-17(16)22-18(23)24;1-4-12(5-2)22-16-15(14(19)10-20-17(16)21-18(22)23)11-6-8-13(9-7-11)26(3,24)25;1-3-13(4-2)22-16-15(12-7-5-6-11(8-12)10-23)14(19)9-20-17(16)21-18(22)24;1-4-13(5-2)22-16-15(12-8-6-11(3)7-9-12)14(19)10-20-17(16)21-18(22)23/h5-9,12H,3-4H2,1-2H3,(H2,20,24)(H,21,22,25);5-8,10,13H,3-4H2,1-2H3,(H,21,22,24);6-10,12H,4-5H2,1-3H3,(H,20,21,23);5-9,13,23H,3-4,10H2,1-2H3,(H,20,21,24);6-10,13H,4-5H2,1-3H3,(H,20,21,23).
What are the key properties of 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile?
6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile has a molecular weight of 1769.20 g/mol, XLogP of 20.21, 23 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[3-(hydroxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-methylsulfonylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzamide;3-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)benzonitrile is sourced from PubChem (CID 159863311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).