2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C40H32F6N6OS2 — CID 159936623

IUPAC2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3OS.C20H16F3N3S/c1-3-28(27)17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2;1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyOAIHVNCPBGUGHV-UHFFFAOYSA-N
MW790.86 g/mol
LogP10.85
Rot. Bonds6

About 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 159936623) has the molecular formula C40H32F6N6OS2 and a molecular weight of 790.86 g/mol. Its IUPAC name is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID159936623
Molecular FormulaC40H32F6N6OS2
Molecular Weight790.86 g/mol
Exact Mass790.20
IUPAC Name2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3OS.C20H16F3N3S/c1-3-28(27)17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2;1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyOAIHVNCPBGUGHV-UHFFFAOYSA-N
XLogP10.85
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.86
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

4-[6-(2,5-Difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline
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1-{[3-(3-Fluorophenyl)-3H-imidazo[4,5-B]pyridin-2-YL]methyl}-4-(2,4,5-trimethylbenzenesulfonyl)piperazine
CID 46389176
3-[4-[(3,4-Difluoro-2-methylphenyl)sulfonylmethyl]-3-fluorophenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-b]pyridine
CID 21303004
2-[2-ethylsulfonyl-4-(pyrimidin-2-yl)-phenyl]-3-methyl-6-trifluoromethyl-3H-imidazo[4,5-b]pyridine
CID 68091055
2-[2-Ethylsulfinyl-4-(trifluoromethyl)phenyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 88585763
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CID 89921749
2-(2-Ethylsulfinylphenyl)-6-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridine
CID 89921750
2-[2-Ethylsulfinyl-4-(trifluoromethyl)phenyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 89931846
2-[1-Amino-2,2,2-trifluoro-1-[7-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanylindol-4-yl]ethyl]benzimidazole-1-carbonitrile
CID 90010498
5-[3-(4-Propan-2-ylsulfinylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
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CID 117729774

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 159936623) is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is OAIHVNCPBGUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS.C20H16F3N3S/c1-3-28(27)17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2;1-3-27-17-9-13-7-5-4-6-12(13)8-15(17)18-25-16-10-14(20(21,22)23)11-24-19(16)26(18)2/h4-11H,3H2,1-2H3;4-11H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 790.86 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 159936623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).