2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C19H18F3N3S — CID 122430797

IUPAC2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(C2CC2)cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H18F3N3S/c1-3-26-16-7-6-12(11-4-5-11)8-13(16)18-24-14-9-17(19(20,21)22)23-10-15(14)25(18)2/h6-11H,3-5H2,1-2H3
InChIKeyWKLYDNLLIASRSH-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.64
Rot. Bonds4

About 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 122430797) has the molecular formula C19H18F3N3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID122430797
Molecular FormulaC19H18F3N3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCSc1ccc(C2CC2)cc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H18F3N3S/c1-3-26-16-7-6-12(11-4-5-11)8-13(16)18-24-14-9-17(19(20,21)22)23-10-15(14)25(18)2/h6-11H,3-5H2,1-2H3
InChIKeyWKLYDNLLIASRSH-UHFFFAOYSA-N
XLogP5.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]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

5-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-amine
CID 154980356
5-ethylsulfanyl-2-(2-methylprop-2-enyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 162575847
1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
2-[6-(3,5-dichloro-4-fluorophenyl)-3-ethylsulfanyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430886
2-(5-cyclopropyl-4-ethylsulfanyl-1-pyridin-4-ylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166141337
5-ethylsulfanyl-2-iodo-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 147995964
2-(2-bromo-5-ethylsulfanyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135222430
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
CID 142621049
CID 146268991
CID 146268991
2-(3-ethylsulfanyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274320
2-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134274298
2-[[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxy]propanenitrile
CID 150882893

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 122430797) is 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1ccc(C2CC2)cc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is WKLYDNLLIASRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3S/c1-3-26-16-7-6-12(11-4-5-11)8-13(16)18-24-14-9-17(19(20,21)22)23-10-15(14)25(18)2/h6-11H,3-5H2,1-2H3.
What are the key properties of 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 377.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 122430797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).