6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane

C80H81Cl7FN19O7S2 — CID 162058140

About 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane

6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane (PubChem CID 162058140) has the molecular formula C80H81Cl7FN19O7S2 and a molecular weight of 1751.96 g/mol. Its IUPAC name is 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane.

Molecular Properties

• Compound Name: 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane
• PubChem CID: 162058140
• Molecular Formula: C80H81Cl7FN19O7S2
• Molecular Weight: 1751.96 g/mol
• Exact Mass: 1747.38
• IUPAC Name: 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane
• SMILES: CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccncc3F)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C#N)cc3)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cc3)c21.S.S
• InChI: InChI=1S/C17H15ClN4O2.C17H18ClN3O2.C16H16Cl2N4O.C16H16ClFN4O.C14H12Cl2N4O.2H2S/c1-2-12(9-23)22-15-14(11-5-3-10(7-19)4-6-11)13(18)8-20-16(15)21-17(22)24;1-3-12(9-22)21-15-14(11-6-4-10(2)5-7-11)13(18)8-19-16(15)20-17(21)23;1-3-10(4-2)22-14-13(12-6-5-9(17)7-19-12)11(18)8-20-15(14)21-16(22)23;1-3-9(4-2)22-14-13(10-5-6-19-8-12(10)18)11(17)7-20-15(14)21-16(22)23;1-7(2)20-12-11(10-4-3-8(15)5-17-10)9(16)6-18-13(12)19-14(20)21;;/h3-6,8,12,23H,2,9H2,1H3,(H,20,21,24);4-8,12,22H,3,9H2,1-2H3,(H,19,20,23);5-8,10H,3-4H2,1-2H3,(H,20,21,23);5-9H,3-4H2,1-2H3,(H,20,21,23);3-7H,1-2H3,(H,18,19,21);2*1H2/t2*12-;;;;;/m00...../s1
• InChIKey: YZLNNBKLXXDIEY-UWOADXGSSA-N
• XLogP: 18.45
• TPSA: 356.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.96
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane?

The IUPAC name of 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane (CID 162058140) is 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane.

What is the SMILES notation for 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane?

The canonical SMILES for 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane is CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccncc3F)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C#N)cc3)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cc3)c21.S.S.

What is the InChIKey of 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane?

The InChIKey is YZLNNBKLXXDIEY-UWOADXGSSA-N. The full InChI is InChI=1S/C17H15ClN4O2.C17H18ClN3O2.C16H16Cl2N4O.C16H16ClFN4O.C14H12Cl2N4O.2H2S/c1-2-12(9-23)22-15-14(11-5-3-10(7-19)4-6-11)13(18)8-20-16(15)21-17(22)24;1-3-12(9-22)21-15-14(11-6-4-10(2)5-7-11)13(18)8-19-16(15)20-17(21)23;1-3-10(4-2)22-14-13(12-6-5-9(17)7-19-12)11(18)8-20-15(14)21-16(22)23;1-3-9(4-2)22-14-13(10-5-6-19-8-12(10)18)11(17)7-20-15(14)21-16(22)23;1-7(2)20-12-11(10-4-3-8(15)5-17-10)9(16)6-18-13(12)19-14(20)21;;/h3-6,8,12,23H,2,9H2,1H3,(H,20,21,24);4-8,12,22H,3,9H2,1-2H3,(H,19,20,23);5-8,10H,3-4H2,1-2H3,(H,20,21,23);5-9H,3-4H2,1-2H3,(H,20,21,23);3-7H,1-2H3,(H,18,19,21);2*1H2/t2*12-;;;;;/m00...../s1.

What are the key properties of 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane?

6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane has a molecular weight of 1751.96 g/mol, XLogP of 18.45, 18 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(5-chloro-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-chloro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-fluoro-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-7-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-one;4-[6-chloro-1-[(2S)-1-hydroxybutan-2-yl]-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl]benzonitrile;sulfane is sourced from PubChem (CID 162058140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).