2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine

C16H15F3N4O2S2 — CID 90275829

IUPAC2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(SC)cnc2n1C
InChIInChI=1S/C16H15F3N4O2S2/c1-4-27(24,25)12-5-9(16(17,18)19)7-20-13(12)15-22-11-6-10(26-3)8-21-14(11)23(15)2/h5-8H,4H2,1-3H3
InChIKeyWLYQZOOKZZFUOI-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.56
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine

2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine (PubChem CID 90275829) has the molecular formula C16H15F3N4O2S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine
PubChem CID90275829
Molecular FormulaC16H15F3N4O2S2
Molecular Weight416.45 g/mol
Exact Mass416.06
IUPAC Name2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(SC)cnc2n1C
InChIInChI=1S/C16H15F3N4O2S2/c1-4-27(24,25)12-5-9(16(17,18)19)7-20-13(12)15-22-11-6-10(26-3)8-21-14(11)23(15)2/h5-8H,4H2,1-3H3
InChIKeyWLYQZOOKZZFUOI-UHFFFAOYSA-N
XLogP3.56
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

Zolimidine
CID 14652
Way-208466
CID 10337743
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CID 89815984
2-Tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(2-methylbutyl)benzimidazole
CID 90654968
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
2-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9947371
1-(4-Methanesulfonyl-phenyl)-2-(3-methylsulfanyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10764155
N,N-dimethyl-2-(3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 11709684
1-[4-(Methylsulfonyl)phenyl]-2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-1H-imidazole
CID 11794210
1-(4-Methanesulfonyl-phenyl)-2-(4-methylsulfanyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 11795942
2-Isopropyl-3-(3'-(methylsulfonyl)biphenyl-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137094

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine (CID 90275829) is 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(SC)cnc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is WLYQZOOKZZFUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S2/c1-4-27(24,25)12-5-9(16(17,18)19)7-20-13(12)15-22-11-6-10(26-3)8-21-14(11)23(15)2/h5-8H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine?
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 416.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-methylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 90275829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).