2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C15H13F3IN3O3S2 — CID 122640411

IUPAC2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cc(I)sc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C15H13F3IN3O3S2/c1-4-27(24,25)8-6-10(19)26-12(8)13-20-7-5-9(15(16,17)18)21(2)14(23)11(7)22(13)3/h5-6H,4H2,1-3H3
InChIKeyHZDFRHWOKXMQLV-UHFFFAOYSA-N
MW531.32 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 122640411) has the molecular formula C15H13F3IN3O3S2 and a molecular weight of 531.32 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID122640411
Molecular FormulaC15H13F3IN3O3S2
Molecular Weight531.32 g/mol
Exact Mass530.94
IUPAC Name2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cc(I)sc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C15H13F3IN3O3S2/c1-4-27(24,25)8-6-10(19)26-12(8)13-20-7-5-9(15(16,17)18)21(2)14(23)11(7)22(13)3/h5-6H,4H2,1-3H3
InChIKeyHZDFRHWOKXMQLV-UHFFFAOYSA-N
XLogP3.42
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 166152799
2-(6-cyclopropyl-3-ethylsulfonyl-1-benzothiophen-2-yl)-3-methyl-5-propyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 139507299
2-(3-ethylsulfonyl-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridin-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 139494299
5-ethyl-2-(3-ethylsulfonyl-6-phenyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 140936434
2-(6-amino-5-bromo-3-ethylsulfonyl-2-pyridinyl)-5-ethyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 135333725
6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxylic acid
CID 135333610
2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134466883
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-4-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methylpropanenitrile
CID 134466847
1-[2-[3,5-dimethyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylimidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 139494467
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-[2-ethylsulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 167035199

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 122640411) is 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)(=O)c1cc(I)sc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is HZDFRHWOKXMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3IN3O3S2/c1-4-27(24,25)8-6-10(19)26-12(8)13-20-7-5-9(15(16,17)18)21(2)14(23)11(7)22(13)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 531.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-iodothiophen-2-yl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 122640411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).