3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one

C18H13F3N4O — CID 166056947

IUPAC3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(CC(F)(F)F)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H13F3N4O/c1-10-15(22-13-5-3-2-4-12(13)16(10)26)17-23-14-7-6-11(8-18(19,20)21)9-25(14)24-17/h2-7,9H,8H2,1H3,(H,22,26)
InChIKeyFFAMSRNJQCCQML-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.65
Rot. Bonds2

About 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one

3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (PubChem CID 166056947) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
PubChem CID166056947
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
SMILESCc1c(-c2nc3ccc(CC(F)(F)F)cn3n2)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H13F3N4O/c1-10-15(22-13-5-3-2-4-12(13)16(10)26)17-23-14-7-6-11(8-18(19,20)21)9-25(14)24-17/h2-7,9H,8H2,1H3,(H,22,26)
InChIKeyFFAMSRNJQCCQML-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one (CID 166056947) is 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is Cc1c(-c2nc3ccc(CC(F)(F)F)cn3n2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
The InChIKey is FFAMSRNJQCCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-15(22-13-5-3-2-4-12(13)16(10)26)17-23-14-7-6-11(8-18(19,20)21)9-25(14)24-17/h2-7,9H,8H2,1H3,(H,22,26).
What are the key properties of 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one?
3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one has a molecular weight of 358.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 166056947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).