3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

C19H15F3N4O2S — CID 121405254

IUPAC3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-12(11)24-17(15)18-25-13-9-16(19(20,21)22)23-10-14(13)26(18)2/h4-10H,3H2,1-2H3
InChIKeyXTHCDKLMBXEJBI-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.00
Rot. Bonds3

About 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (PubChem CID 121405254) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
PubChem CID121405254
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-12(11)24-17(15)18-25-13-9-16(19(20,21)22)23-10-14(13)26(18)2/h4-10H,3H2,1-2H3
InChIKeyXTHCDKLMBXEJBI-UHFFFAOYSA-N
XLogP4.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Methyl-1H-imidazo[4,5-c]pyridin-2-yl)quinoline
CID 621221
1-Isopropyl-7-(methylsulfonyl)-2-(4-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazine
CID 89815984
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzenesulfonyl]-indole-1-carboxylic acid dimethylamide
CID 10504663
2-Methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
CID 10574451
3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-quinoline
CID 10693269
1-[4-(Methylsulfonyl)phenyl]-2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)-1H-imidazole
CID 11794210
2-Ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226434
3-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-(4-methylsulfonylphenyl)triazolo[4,5-c]pyridine
CID 68021959

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (CID 121405254) is 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.
What is the SMILES notation for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The canonical SMILES for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The InChIKey is XTHCDKLMBXEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-12(11)24-17(15)18-25-13-9-16(19(20,21)22)23-10-14(13)26(18)2/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline has a molecular weight of 420.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is sourced from PubChem (CID 121405254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).