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

C16H12F6N4O2S — CID 89404380

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2n1CC(F)(F)F
InChIInChI=1S/C16H12F6N4O2S/c1-2-29(27,28)11-4-3-5-23-12(11)14-25-10-6-9(16(20,21)22)7-24-13(10)26(14)8-15(17,18)19/h3-7H,2,8H2,1H3
InChIKeyGWUSKPOAHMRKOU-UHFFFAOYSA-N
MW438.35 g/mol
LogP3.87
Rot. Bonds4

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

2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 89404380) has the molecular formula C16H12F6N4O2S and a molecular weight of 438.35 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID89404380
Molecular FormulaC16H12F6N4O2S
Molecular Weight438.35 g/mol
Exact Mass438.06
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2n1CC(F)(F)F
InChIInChI=1S/C16H12F6N4O2S/c1-2-29(27,28)11-4-3-5-23-12(11)14-25-10-6-9(16(20,21)22)7-24-13(10)26(14)8-15(17,18)19/h3-7H,2,8H2,1H3
InChIKeyGWUSKPOAHMRKOU-UHFFFAOYSA-N
XLogP3.87
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 14652
Way-208466
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CID 89815984
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CID 9842937
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CID 9929140
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CID 9947371
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 89404380) is 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cnc2n1CC(F)(F)F.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is GWUSKPOAHMRKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O2S/c1-2-29(27,28)11-4-3-5-23-12(11)14-25-10-6-9(16(20,21)22)7-24-13(10)26(14)8-15(17,18)19/h3-7H,2,8H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 438.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 89404380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).