3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole

C117H87F21N20O6S7 — CID 161024167

About 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole

3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 161024167) has the molecular formula C117H87F21N20O6S7 and a molecular weight of 2492.54 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
• PubChem CID: 161024167
• Molecular Formula: C117H87F21N20O6S7
• Molecular Weight: 2492.54 g/mol
• Exact Mass: 2490.48
• IUPAC Name: 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
• SMILES: CCS(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2o1.CCS(=O)c1cc2ccccc2nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(OC(F)(F)F)cnc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2n1C
• InChI: InChI=1S/2C20H15F5N4S.C20H16F3N3S2.C19H15F3N4OS.C19H13F3N2O2S.C19H13F2N3O3S/c1-3-30-15-8-11-6-4-5-7-13(11)27-16(15)18-28-14-9-12(10-26-17(14)29(18)2)19(21,22)20(23,24)25;1-3-30-15-8-11-6-4-5-7-12(11)27-17(15)18-28-13-9-16(19(21,22)20(23,24)25)26-10-14(13)29(18)2;1-3-27-17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(28-20(21,22)23)8-9-16(15)26(19)2;1-3-28-15-8-11-6-4-5-7-13(11)24-16(15)18-25-14-9-12(27-19(20,21)22)10-23-17(14)26(18)2;1-2-27(25)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(19(20,21)22)7-8-15(14)26-18;1-2-28(25)16-7-10-5-3-4-6-11(10)22-17(16)18-23-12-8-14-15(9-13(12)24-18)27-19(20,21)26-14/h2*4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-10H,3H2,1-2H3;3-10H,2H2,1H3;3-9H,2H2,1H3,(H,23,24)
• InChIKey: TYTNMHIKXKXBOO-UHFFFAOYSA-N
• XLogP: 33.02
• TPSA: 303.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2492.54
LogP ≤ 5	33.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?

The IUPAC name of 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 161024167) is 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole.

What is the SMILES notation for 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?

The canonical SMILES for 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole is CCS(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2o1.CCS(=O)c1cc2ccccc2nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(OC(F)(F)F)cnc2n1C.CCSc1cc2ccccc2nc1-c1nc2cc(SC(F)(F)F)ccc2n1C.

What is the InChIKey of 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?

The InChIKey is TYTNMHIKXKXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15F5N4S.C20H16F3N3S2.C19H15F3N4OS.C19H13F3N2O2S.C19H13F2N3O3S/c1-3-30-15-8-11-6-4-5-7-13(11)27-16(15)18-28-14-9-12(10-26-17(14)29(18)2)19(21,22)20(23,24)25;1-3-30-15-8-11-6-4-5-7-12(11)27-17(15)18-28-13-9-16(19(21,22)20(23,24)25)26-10-14(13)29(18)2;1-3-27-17-10-12-6-4-5-7-14(12)24-18(17)19-25-15-11-13(28-20(21,22)23)8-9-16(15)26(19)2;1-3-28-15-8-11-6-4-5-7-13(11)24-16(15)18-25-14-9-12(27-19(20,21)22)10-23-17(14)26(18)2;1-2-27(25)16-9-11-5-3-4-6-13(11)23-17(16)18-24-14-10-12(19(20,21)22)7-8-15(14)26-18;1-2-28(25)16-7-10-5-3-4-6-11(10)22-17(16)18-23-12-8-14-15(9-13(12)24-18)27-19(20,21)26-14/h2*4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-10H,3H2,1-2H3;3-10H,2H2,1H3;3-9H,2H2,1H3,(H,23,24).

What are the key properties of 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?

3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 2492.54 g/mol, XLogP of 33.02, 22 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 161024167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).