5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

C19H15F3N4S — CID 135262531

IUPAC5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ccc2ncccc12
InChIInChI=1S/C19H15F3N4S/c1-3-27-17-11-5-4-8-23-13(11)7-6-12(17)18-25-14-9-16(19(20,21)22)24-10-15(14)26(18)2/h4-10H,3H2,1-2H3
InChIKeyLMWAALCTKDXHGJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.31
Rot. Bonds3

About 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline

5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (PubChem CID 135262531) has the molecular formula C19H15F3N4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
PubChem CID135262531
Molecular FormulaC19H15F3N4S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ccc2ncccc12
InChIInChI=1S/C19H15F3N4S/c1-3-27-17-11-5-4-8-23-13(11)7-6-12(17)18-25-14-9-16(19(20,21)22)24-10-15(14)26(18)2/h4-10H,3H2,1-2H3
InChIKeyLMWAALCTKDXHGJ-UHFFFAOYSA-N
XLogP5.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The IUPAC name of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline (CID 135262531) is 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline.
What is the SMILES notation for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The canonical SMILES for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ccc2ncccc12.
What is the InChIKey of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
The InChIKey is LMWAALCTKDXHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4S/c1-3-27-17-11-5-4-8-23-13(11)7-6-12(17)18-25-14-9-16(19(20,21)22)24-10-15(14)26(18)2/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline?
5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline has a molecular weight of 388.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]quinoline is sourced from PubChem (CID 135262531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).