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

C23H21F3N4O3S — CID 140936434

IUPAC5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3nc(-c4ccccc4)ccc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C23H21F3N4O3S/c1-4-30-18(23(24,25)26)13-16-20(22(30)31)29(3)21(28-16)19-17(34(32,33)5-2)12-11-15(27-19)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeySVQSLKVVPJUOMM-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.30
Rot. Bonds5

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

5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 140936434) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID140936434
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC Name5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3nc(-c4ccccc4)ccc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C23H21F3N4O3S/c1-4-30-18(23(24,25)26)13-16-20(22(30)31)29(3)21(28-16)19-17(34(32,33)5-2)12-11-15(27-19)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeySVQSLKVVPJUOMM-UHFFFAOYSA-N
XLogP4.30
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxylic acid
CID 135333610
2-(6-amino-5-bromo-3-ethylsulfonyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 135333725
5-benzyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 118900962
2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134466883
2-[6-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430733
2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 122640411
2-[[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-(ethylsulfonimidoyl)-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 166152815
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-[3-ethylsulfonyl-6-(1H-1,2,4-triazol-2-ium-2-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 140936436
2-(6-cyclopropyl-3-ethylsulfonyl-1-benzothiophen-2-yl)-3-methyl-5-propyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 139507299
5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 129183411
3-ethylsulfonyl-2-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 126506777

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 140936434) is 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCn1c(C(F)(F)F)cc2nc(-c3nc(-c4ccccc4)ccc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is SVQSLKVVPJUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-4-30-18(23(24,25)26)13-16-20(22(30)31)29(3)21(28-16)19-17(34(32,33)5-2)12-11-15(27-19)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 490.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 140936434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).