6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane

C80H83Cl5F3N19O7S — CID 158224780

About 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane

6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane (PubChem CID 158224780) has the molecular formula C80H83Cl5F3N19O7S and a molecular weight of 1689.00 g/mol. Its IUPAC name is 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

Molecular Properties

• Compound Name: 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• PubChem CID: 158224780
• Molecular Formula: C80H83Cl5F3N19O7S
• Molecular Weight: 1689.00 g/mol
• Exact Mass: 1685.48
• IUPAC Name: 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)nc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(C(F)(F)F)c3)c21.CC[C@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccn3)c21.O=c1[nH]c2ncc(Cl)c(-c3ccccc3)c2n1CCO.S
• InChI: InChI=1S/C17H16ClF3N4O.2C17H19ClN4O.C15H15ClN4O2.C14H12ClN3O2.H2S/c1-3-10(4-2)25-14-13(11(18)8-23-15(14)24-16(25)26)9-5-6-22-12(7-9)17(19,20)21;1-4-12(5-2)22-15-14(11-7-6-10(3)19-8-11)13(18)9-20-16(15)21-17(22)23;1-4-11(5-2)22-15-14(13-7-6-10(3)8-19-13)12(18)9-20-16(15)21-17(22)23;1-2-9(8-21)20-13-12(11-5-3-4-6-17-11)10(16)7-18-14(13)19-15(20)22;15-10-8-16-13-12(18(6-7-19)14(20)17-13)11(10)9-4-2-1-3-5-9;/h5-8,10H,3-4H2,1-2H3,(H,23,24,26);6-9,12H,4-5H2,1-3H3,(H,20,21,23);6-9,11H,4-5H2,1-3H3,(H,20,21,23);3-7,9,21H,2,8H2,1H3,(H,18,19,22);1-5,8,19H,6-7H2,(H,16,17,20);1H2/t;;;9-;;/m...1../s1
• InChIKey: GDQYGFGSEQNECT-SGBMFLJISA-N
• XLogP: 17.57
• TPSA: 345.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.00
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The IUPAC name of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane (CID 158224780) is 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

What is the SMILES notation for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The canonical SMILES for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)cn3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(C)nc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(C(F)(F)F)c3)c21.CC[C@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccn3)c21.O=c1[nH]c2ncc(Cl)c(-c3ccccc3)c2n1CCO.S.

What is the InChIKey of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The InChIKey is GDQYGFGSEQNECT-SGBMFLJISA-N. The full InChI is InChI=1S/C17H16ClF3N4O.2C17H19ClN4O.C15H15ClN4O2.C14H12ClN3O2.H2S/c1-3-10(4-2)25-14-13(11(18)8-23-15(14)24-16(25)26)9-5-6-22-12(7-9)17(19,20)21;1-4-12(5-2)22-15-14(11-7-6-10(3)19-8-11)13(18)9-20-16(15)21-17(22)23;1-4-11(5-2)22-15-14(13-7-6-10(3)8-19-13)12(18)9-20-16(15)21-17(22)23;1-2-9(8-21)20-13-12(11-5-3-4-6-17-11)10(16)7-18-14(13)19-15(20)22;15-10-8-16-13-12(18(6-7-19)14(20)17-13)11(10)9-4-2-1-3-5-9;/h5-8,10H,3-4H2,1-2H3,(H,23,24,26);6-9,12H,4-5H2,1-3H3,(H,20,21,23);6-9,11H,4-5H2,1-3H3,(H,20,21,23);3-7,9,21H,2,8H2,1H3,(H,18,19,22);1-5,8,19H,6-7H2,(H,16,17,20);1H2/t;;;9-;;/m...1../s1.

What are the key properties of 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane has a molecular weight of 1689.00 g/mol, XLogP of 17.57, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane is sourced from PubChem (CID 158224780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).