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

C22H19F3N4O2S — CID 121405279

IUPAC5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2c(C3CC3)cccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H19F3N4O2S/c1-3-32(30,31)18-9-14-13(12-7-8-12)5-4-6-15(14)27-20(18)21-28-16-10-19(22(23,24)25)26-11-17(16)29(21)2/h4-6,9-12H,3,7-8H2,1-2H3
InChIKeyODJXBDCFNZXOTE-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.87
Rot. Bonds4

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

5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (PubChem CID 121405279) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
PubChem CID121405279
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC Name5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2c(C3CC3)cccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H19F3N4O2S/c1-3-32(30,31)18-9-14-13(12-7-8-12)5-4-6-15(14)27-20(18)21-28-16-10-19(22(23,24)25)26-11-17(16)29(21)2/h4-6,9-12H,3,7-8H2,1-2H3
InChIKeyODJXBDCFNZXOTE-UHFFFAOYSA-N
XLogP4.87
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 145949251
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
2-Ethyl-7-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44459034
4-Imidazol-1-yl-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
CID 71579418
1-Methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]pyrrolo[2,3-c]pyridine
CID 118735334
7-methyl-3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
CID 118735335
3-Ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine
CID 155534498
4-[2-(2,5-Difluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-7-(4-methylsulfonylphenyl)quinoline
CID 164611283
1-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-isoquinoline
CID 10693268
1h-Indole,1-methyl-3-[1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1h-imidazol-2-yl]-
CID 10693380
4-(1-(7-fluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyrimidinamine
CID 50938827

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The IUPAC name of 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (CID 121405279) is 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.
What is the SMILES notation for 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The canonical SMILES for 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is CCS(=O)(=O)c1cc2c(C3CC3)cccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The InChIKey is ODJXBDCFNZXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-3-32(30,31)18-9-14-13(12-7-8-12)5-4-6-15(14)27-20(18)21-28-16-10-19(22(23,24)25)26-11-17(16)29(21)2/h4-6,9-12H,3,7-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline has a molecular weight of 460.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is sourced from PubChem (CID 121405279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).