2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C13H8ClF3N4O — CID 134489509

IUPAC2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2ccccn12
InChIInChI=1S/C13H8ClF3N4O/c14-10-6-9(13(15,16)17)19-21(10)7-8-5-12(22)20-4-2-1-3-11(20)18-8/h1-6H,7H2
InChIKeyQXIFDJHYBCLIKQ-UHFFFAOYSA-N
MW328.68 g/mol
LogP2.61
Rot. Bonds2

About 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134489509) has the molecular formula C13H8ClF3N4O and a molecular weight of 328.68 g/mol. Its IUPAC name is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID134489509
Molecular FormulaC13H8ClF3N4O
Molecular Weight328.68 g/mol
Exact Mass328.03
IUPAC Name2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2ccccn12
InChIInChI=1S/C13H8ClF3N4O/c14-10-6-9(13(15,16)17)19-21(10)7-8-5-12(22)20-4-2-1-3-11(20)18-8/h1-6H,7H2
InChIKeyQXIFDJHYBCLIKQ-UHFFFAOYSA-N
XLogP2.61
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-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 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 134489509) is 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2ccccn12.
What is the InChIKey of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QXIFDJHYBCLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4O/c14-10-6-9(13(15,16)17)19-21(10)7-8-5-12(22)20-4-2-1-3-11(20)18-8/h1-6H,7H2.
What are the key properties of 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134489509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).