2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C18H15F3N4O2S — CID 175568266

IUPAC2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1[nH]c2ccccc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H15F3N4O2S/c1-3-28(26,27)17-14(11-6-4-5-7-12(11)24-17)16-23-13-8-10(18(19,20)21)9-22-15(13)25(16)2/h4-9,24H,3H2,1-2H3
InChIKeyKTJQQGSLDJQTJU-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.93
Rot. Bonds3

About 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 175568266) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID175568266
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1[nH]c2ccccc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H15F3N4O2S/c1-3-28(26,27)17-14(11-6-4-5-7-12(11)24-17)16-23-13-8-10(18(19,20)21)9-22-15(13)25(16)2/h4-9,24H,3H2,1-2H3
InChIKeyKTJQQGSLDJQTJU-UHFFFAOYSA-N
XLogP3.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 175568266) is 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1[nH]c2ccccc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is KTJQQGSLDJQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-3-28(26,27)17-14(11-6-4-5-7-12(11)24-17)16-23-13-8-10(18(19,20)21)9-22-15(13)25(16)2/h4-9,24H,3H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 408.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonyl-1H-indol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 175568266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).