2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C16H15ClF3N3OS — CID 137468449

IUPAC2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)C1=CC(Cl)=CCC1c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H15ClF3N3OS/c1-3-25(24)13-7-10(17)4-5-11(13)14-22-12-6-9(16(18,19)20)8-21-15(12)23(14)2/h4,6-8,11H,3,5H2,1-2H3
InChIKeyJVWWASHGAJWAST-UHFFFAOYSA-N
MW389.83 g/mol
LogP4.25
Rot. Bonds3

About 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 137468449) has the molecular formula C16H15ClF3N3OS and a molecular weight of 389.83 g/mol. Its IUPAC name is 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID137468449
Molecular FormulaC16H15ClF3N3OS
Molecular Weight389.83 g/mol
Exact Mass389.06
IUPAC Name2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)C1=CC(Cl)=CCC1c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H15ClF3N3OS/c1-3-25(24)13-7-10(17)4-5-11(13)14-22-12-6-9(16(18,19)20)8-21-15(12)23(14)2/h4,6-8,11H,3,5H2,1-2H3
InChIKeyJVWWASHGAJWAST-UHFFFAOYSA-N
XLogP4.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine 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-(5-cyclobutyl-3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 145101036
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557860
3-(4-chlorophenyl)-5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4,5-dihydro-1,2-oxazole
CID 146290094
7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 134202400
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497
2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557830
1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146290140
5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 146290104
2-(2-ethylsulfanylcyclohexa-2,4-dien-1-yl)-3-propyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162612946

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 137468449) is 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)C1=CC(Cl)=CCC1c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is JVWWASHGAJWAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3OS/c1-3-25(24)13-7-10(17)4-5-11(13)14-22-12-6-9(16(18,19)20)8-21-15(12)23(14)2/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 389.83 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 137468449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).