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

C24H20F6N4OS — CID 135366222

IUPAC5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(-c2ccc(C(F)(F)F)cc2)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C
InChIInChI=1S/C24H20F6N4OS/c1-4-34-18(24(28,29)30)12-16-20(22(34)35)33(3)21(32-16)19-17(36-5-2)11-10-15(31-19)13-6-8-14(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3
InChIKeyOGRIBGJLMGOOQF-UHFFFAOYSA-N
MW526.51 g/mol
LogP6.63
Rot. Bonds5

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

5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 135366222) has the molecular formula C24H20F6N4OS and a molecular weight of 526.51 g/mol. Its IUPAC name is 5-ethyl-2-[3-ethylsulfanyl-6-[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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID135366222
Molecular FormulaC24H20F6N4OS
Molecular Weight526.51 g/mol
Exact Mass526.13
IUPAC Name5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1ccc(-c2ccc(C(F)(F)F)cc2)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C
InChIInChI=1S/C24H20F6N4OS/c1-4-34-18(24(28,29)30)12-16-20(22(34)35)33(3)21(32-16)19-17(36-5-2)11-10-15(31-19)13-6-8-14(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3
InChIKeyOGRIBGJLMGOOQF-UHFFFAOYSA-N
XLogP6.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.51
LogP ≤ 56.63
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-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-2-{[3-(trifluoromethyl)phenyl]sulfanyl}-1-ethanone
CID 3583411
1-(4-Fluorophenyl)-9-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylsulfanyl]purin-6-one
CID 11351348
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
3-(4-fluorophenyl)-N,5-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]-2-[(2,3,6-trifluorophenyl)methylsulfanyl]imidazole-4-carboxamide
CID 71117437
1-methyl-N-propan-2-yl-N-[[2-[4-(trifluoromethylsulfanyl)phenyl]pyridin-4-yl]methyl]imidazole-4-carboxamide
CID 89694259
N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157669
N-methyl-N-(5-methylsulfonylpyridin-2-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157842
5-Ethyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 118865133

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-ethylsulfanyl-6-[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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 135366222) is 5-ethyl-2-[3-ethylsulfanyl-6-[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-[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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCSc1ccc(-c2ccc(C(F)(F)F)cc2)nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C.
What is the InChIKey of 5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is OGRIBGJLMGOOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N4OS/c1-4-34-18(24(28,29)30)12-16-20(22(34)35)33(3)21(32-16)19-17(36-5-2)11-10-15(31-19)13-6-8-14(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-[3-ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 526.51 g/mol, XLogP of 6.63, 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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 135366222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).