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

C40H32F6N6O2S2 — CID 161357564

IUPAC2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3O2S.C20H16F3N3S/c1-3-29(27,28)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
InChIKeyVOSYCPJXTDZZAH-UHFFFAOYSA-N
MW806.86 g/mol
LogP10.52
Rot. Bonds6

About 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 161357564) has the molecular formula C40H32F6N6O2S2 and a molecular weight of 806.86 g/mol. Its IUPAC name is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID161357564
Molecular FormulaC40H32F6N6O2S2
Molecular Weight806.86 g/mol
Exact Mass806.19
IUPAC Name2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C.CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H16F3N3O2S.C20H16F3N3S/c1-3-29(27,28)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
InChIKeyVOSYCPJXTDZZAH-UHFFFAOYSA-N
XLogP10.52
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.86
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-7-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44459034
7-(4-Methylsulfonylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
CID 164625898
US10479795, Example 487
CID 132260477
US10479795, Example 475
CID 132260573
4-[6-(2,5-Difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-7-(4-methylsulfonylphenyl)quinoline
CID 164613657
2-(4-Methylsulfonylphenyl)-3-naphthalen-1-ylsulfanylimidazo[1,2-a]pyridine
CID 164618631
N'-[(E)-[4-(6-butylsulfanyl-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
CID 118705530
[Zolimidine]-[5-m-xylene]
CID 132472666
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 46286813
1-{[3-(4-Fluorophenyl)-3H-imidazo[4,5-B]pyridin-2-YL]methyl}-4-(2,4,5-trimethylbenzenesulfonyl)piperazine
CID 46389112
1-{[3-(3-Fluorophenyl)-3H-imidazo[4,5-B]pyridin-2-YL]methyl}-4-(2,4,5-trimethylbenzenesulfonyl)piperazine
CID 46389176
N-({3-[(4-Fluorophenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)-2,4,5-trimethylbenzene-1-sulfonamide
CID 53021066

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-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 161357564) is 2-(3-ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is VOSYCPJXTDZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S.C20H16F3N3S/c1-3-29(27,28)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-ethylsulfonylnaphthalen-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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 806.86 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 9 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-ethylsulfonylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 161357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).