tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane

C75H83Cl4F2N13O10S — CID 161192642

About tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane

tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane (PubChem CID 161192642) has the molecular formula C75H83Cl4F2N13O10S and a molecular weight of 1538.44 g/mol. Its IUPAC name is tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane.

Molecular Properties

• Compound Name: tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane
• PubChem CID: 161192642
• Molecular Formula: C75H83Cl4F2N13O10S
• Molecular Weight: 1538.44 g/mol
• Exact Mass: 1535.48
• IUPAC Name: tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(=O)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(OC)cc3F)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.S
• InChI: InChI=1S/C23H29ClN4O3.C18H19ClFN3O2.C18H18ClN3O3.C16H15ClFN3O2.H2S/c1-7-15(8-2)28-19-18(17(24)13-25-20(19)26-21(28)29)14-9-11-16(12-10-14)27(6)22(30)31-23(3,4)5;1-4-10(5-2)23-16-15(12-7-6-11(25-3)8-14(12)20)13(19)9-21-17(16)22-18(23)24;1-3-12(4-2)22-15-14(10-5-7-11(8-6-10)17(23)24)13(19)9-20-16(15)21-18(22)25;1-2-11(8-22)21-14-13(9-3-5-10(18)6-4-9)12(17)7-19-15(14)20-16(21)23;/h9-13,15H,7-8H2,1-6H3,(H,25,26,29);6-10H,4-5H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);3-7,11,22H,2,8H2,1H3,(H,19,20,23);1H2/t;;;11-;/m...0./s1
• InChIKey: UTXVMEAKHUITFG-AGDVODHCSA-N
• XLogP: 17.68
• TPSA: 299.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.44
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane?

The IUPAC name of tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane (CID 161192642) is tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane.

What is the SMILES notation for tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane?

The canonical SMILES for tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C(=O)O)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(OC)cc3F)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.S.

What is the InChIKey of tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane?

The InChIKey is UTXVMEAKHUITFG-AGDVODHCSA-N. The full InChI is InChI=1S/C23H29ClN4O3.C18H19ClFN3O2.C18H18ClN3O3.C16H15ClFN3O2.H2S/c1-7-15(8-2)28-19-18(17(24)13-25-20(19)26-21(28)29)14-9-11-16(12-10-14)27(6)22(30)31-23(3,4)5;1-4-10(5-2)23-16-15(12-7-6-11(25-3)8-14(12)20)13(19)9-21-17(16)22-18(23)24;1-3-12(4-2)22-15-14(10-5-7-11(8-6-10)17(23)24)13(19)9-20-16(15)21-18(22)25;1-2-11(8-22)21-14-13(9-3-5-10(18)6-4-9)12(17)7-19-15(14)20-16(21)23;/h9-13,15H,7-8H2,1-6H3,(H,25,26,29);6-10H,4-5H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H,23,24)(H,20,21,25);3-7,11,22H,2,8H2,1H3,(H,19,20,23);1H2/t;;;11-;/m...0./s1.

What are the key properties of tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane?

tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane has a molecular weight of 1538.44 g/mol, XLogP of 17.68, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)phenyl]-N-methylcarbamate;6-chloro-7-(2-fluoro-4-methoxyphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(4-fluorophenyl)-1-[(2S)-1-hydroxybutan-2-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)benzoic acid;sulfane is sourced from PubChem (CID 161192642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).