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

C24H19F6N3OS — CID 167035199

IUPAC2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C24H19F6N3OS/c1-4-35-18-11-14(13-5-8-15(9-6-13)23(25,26)27)7-10-16(18)21-31-17-12-19(24(28,29)30)32(2)22(34)20(17)33(21)3/h5-12H,4H2,1-3H3
InChIKeyNGYCDFLMGROPNH-UHFFFAOYSA-N
MW511.49 g/mol
LogP6.76
Rot. Bonds4

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

2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 167035199) has the molecular formula C24H19F6N3OS and a molecular weight of 511.49 g/mol. Its IUPAC name is 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID167035199
Molecular FormulaC24H19F6N3OS
Molecular Weight511.49 g/mol
Exact Mass511.12
IUPAC Name2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCSc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C24H19F6N3OS/c1-4-35-18-11-14(13-5-8-15(9-6-13)23(25,26)27)7-10-16(18)21-31-17-12-19(24(28,29)30)32(2)22(34)20(17)33(21)3/h5-12H,4H2,1-3H3
InChIKeyNGYCDFLMGROPNH-UHFFFAOYSA-N
XLogP6.76
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[3-ethylsulfanyl-5-(4-methylphenyl)thiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134450548
5-cyclopropyl-2-[6-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 130330958
2,3,5-trimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 166152799
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
2-[3-ethylsulfonyl-4-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methylpropanenitrile
CID 134466847
2-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]-5-[(Z)-3-iodoprop-1-enyl]-1-methylimidazole
CID 163743610
1-ethyl-5-ethylsulfanyl-3-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-one
CID 137380193
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 145063627
2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 122640411
5-cyclopropyl-2-[3-ethylsulfanyl-5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 129184245
1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
5-benzyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 118900962

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 167035199) is 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCSc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C.
What is the InChIKey of 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is NGYCDFLMGROPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N3OS/c1-4-35-18-11-14(13-5-8-15(9-6-13)23(25,26)27)7-10-16(18)21-31-17-12-19(24(28,29)30)32(2)22(34)20(17)33(21)3/h5-12H,4H2,1-3H3.
What are the key properties of 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 511.49 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 167035199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).