6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide

C95H107Cl5N18O10 — CID 160507800

About 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide

6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide (PubChem CID 160507800) has the molecular formula C95H107Cl5N18O10 and a molecular weight of 1838.28 g/mol. Its IUPAC name is 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide
• PubChem CID: 160507800
• Molecular Formula: C95H107Cl5N18O10
• Molecular Weight: 1838.28 g/mol
• Exact Mass: 1834.69
• IUPAC Name: 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(=O)N(C)C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)N(C)C)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(N)=O)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(COC)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(OC)c3)c21
• InChI: InChI=1S/2C20H23ClN4O2.C19H22ClN3O2.C18H19ClN4O2.C18H20ClN3O2/c1-5-14(6-2)25-17-16(15(21)11-22-18(17)23-20(25)27)12-7-9-13(10-8-12)19(26)24(3)4;1-5-14(6-2)25-17-16(15(21)11-22-18(17)23-20(25)27)12-8-7-9-13(10-12)19(26)24(3)4;1-4-14(5-2)23-17-16(13-8-6-7-12(9-13)11-25-3)15(20)10-21-18(17)22-19(23)24;1-3-12(4-2)23-15-14(10-6-5-7-11(8-10)16(20)24)13(19)9-21-17(15)22-18(23)25;1-4-12(5-2)22-16-15(11-7-6-8-13(9-11)24-3)14(19)10-20-17(16)21-18(22)23/h2*7-11,14H,5-6H2,1-4H3,(H,22,23,27);6-10,14H,4-5,11H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H2,20,24)(H,21,22,25);6-10,12H,4-5H2,1-3H3,(H,20,21,23)
• InChIKey: QSQIVGQZGWNBRG-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 355.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.28
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide?

The IUPAC name of 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide (CID 160507800) is 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide.

What is the SMILES notation for 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide?

The canonical SMILES for 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(=O)N(C)C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(=O)N(C)C)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(C(N)=O)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(COC)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(OC)c3)c21.

What is the InChIKey of 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide?

The InChIKey is QSQIVGQZGWNBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23ClN4O2.C19H22ClN3O2.C18H19ClN4O2.C18H20ClN3O2/c1-5-14(6-2)25-17-16(15(21)11-22-18(17)23-20(25)27)12-7-9-13(10-8-12)19(26)24(3)4;1-5-14(6-2)25-17-16(15(21)11-22-18(17)23-20(25)27)12-8-7-9-13(10-12)19(26)24(3)4;1-4-14(5-2)23-17-16(13-8-6-7-12(9-13)11-25-3)15(20)10-21-18(17)22-19(23)24;1-3-12(4-2)23-15-14(10-6-5-7-11(8-10)16(20)24)13(19)9-21-17(15)22-18(23)25;1-4-12(5-2)22-16-15(11-7-6-8-13(9-11)24-3)14(19)10-20-17(16)21-18(22)23/h2*7-11,14H,5-6H2,1-4H3,(H,22,23,27);6-10,14H,4-5,11H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H2,20,24)(H,21,22,25);6-10,12H,4-5H2,1-3H3,(H,20,21,23).

What are the key properties of 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide?

6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide has a molecular weight of 1838.28 g/mol, XLogP of 20.69, 26 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-[3-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;3-(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)-N,N-dimethylbenzamide;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 160507800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).