5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C24H19F7N4OS — CID 155393186

IUPAC5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(-c2ccc(C(F)(F)F)cc2F)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C
InChIInChI=1S/C24H19F7N4OS/c1-4-35-18(24(29,30)31)11-16-20(22(35)36)34(3)21(33-16)19-17(37-5-2)9-8-15(32-19)13-7-6-12(10-14(13)25)23(26,27)28/h6-11H,4-5H2,1-3H3
InChIKeyJHRRYXYQJVMTRU-UHFFFAOYSA-N
MW544.50 g/mol
LogP6.77
Rot. Bonds5

About 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 155393186) has the molecular formula C24H19F7N4OS and a molecular weight of 544.50 g/mol. Its IUPAC name is 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID155393186
Molecular FormulaC24H19F7N4OS
Molecular Weight544.50 g/mol
Exact Mass544.12
IUPAC Name5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(-c2ccc(C(F)(F)F)cc2F)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C
InChIInChI=1S/C24H19F7N4OS/c1-4-35-18(24(29,30)31)11-16-20(22(35)36)34(3)21(33-16)19-17(37-5-2)9-8-15(32-19)13-7-6-12(10-14(13)25)23(26,27)28/h6-11H,4-5H2,1-3H3
InChIKeyJHRRYXYQJVMTRU-UHFFFAOYSA-N
XLogP6.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(4-(thiophen-2-yl)phenyl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54587525
1,3-dimethyl-8-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155550807
1-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}-1-ethanone
CID 1472570
1-(4-Fluorophenyl)-9-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylsulfanyl]purin-6-one
CID 11351348
6-(3-fluorophenyl)-3-[(Z)-prop-1-enyl]-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 57774653
3-Dimethylaminomethyl-6-(3-fluoro-phenyl)-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 57774678
1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-thiophen-3-yl-8H-imidazo[2,1-b]purin-4-one
CID 58192344
1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-thiophen-2-yl-8H-imidazo[2,1-b]purin-4-one
CID 58192389
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-ethyl-5-(2-fluoro-4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 60019199
6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68749537
9-Ethyl-1-(4-fluorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethylsulfanyl]purin-6-one
CID 69442403
9-Ethyl-3-(4-fluorophenyl)-2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethylsulfanyl]purin-6-one
CID 69559722

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 155393186) is 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCSc1ccc(-c2ccc(C(F)(F)F)cc2F)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C.
What is the InChIKey of 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is JHRRYXYQJVMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F7N4OS/c1-4-35-18(24(29,30)31)11-16-20(22(35)36)34(3)21(33-16)19-17(37-5-2)9-8-15(32-19)13-7-6-12(10-14(13)25)23(26,27)28/h6-11H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 544.50 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-ethylsulfanyl-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 155393186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).