3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one

C15H9F3N2O — CID 56590882

IUPAC3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21/h1-9H
InChIKeyMSTJINQMPCOTFG-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.38
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one

3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56590882) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56590882
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21/h1-9H
InChIKeyMSTJINQMPCOTFG-UHFFFAOYSA-N
XLogP3.38
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(trifluoromethyl)phenyl]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

Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
Mls002693570
CID 248888
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-hydroxy-3-phenyl-
CID 135574819
3-Naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 122203480
3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
3,4-Dihydro-3-phenyl-2H-pyrido(1,2-A)pyrimidine-2,4-dione
CID 4623805
3-Benzoylpyrido[1,2-a]pyrimidin-4-one
CID 2819120
3-(2,5-Difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135491597
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (CID 56590882) is 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2ccc(C(F)(F)F)cc2)cnc2ccccn12.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MSTJINQMPCOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)11-6-4-10(5-7-11)12-9-19-13-3-1-2-8-20(13)14(12)21/h1-9H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56590882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).