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

C19H15F3N4O2S — CID 129100109

IUPAC3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-13(11)24-16(15)18-25-14-9-12(19(20,21)22)10-23-17(14)26(18)2/h4-10H,3H2,1-2H3
InChIKeyGJGOBYKFQFFVIK-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.00
Rot. Bonds3

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

3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline (PubChem CID 129100109) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
PubChem CID129100109
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline
SMILESCCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-13(11)24-16(15)18-25-14-9-12(19(20,21)22)10-23-17(14)26(18)2/h4-10H,3H2,1-2H3
InChIKeyGJGOBYKFQFFVIK-UHFFFAOYSA-N
XLogP4.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The IUPAC name of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline (CID 129100109) is 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline.
What is the SMILES notation for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The canonical SMILES for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline is CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
The InChIKey is GJGOBYKFQFFVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-3-29(27,28)15-8-11-6-4-5-7-13(11)24-16(15)18-25-14-9-12(19(20,21)22)10-23-17(14)26(18)2/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline?
3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline has a molecular weight of 420.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]quinoline is sourced from PubChem (CID 129100109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).