7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H12F3N3O2 — CID 2439152

IUPAC7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n2c1
InChIInChI=1S/C16H12F3N3O2/c1-10-2-4-13-20-12(6-15(24)22(13)7-10)9-21-8-11(16(17,18)19)3-5-14(21)23/h2-8H,9H2,1H3
InChIKeyPMAOZYFJPCJJKL-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.23
Rot. Bonds2

About 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2439152) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2439152
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n2c1
InChIInChI=1S/C16H12F3N3O2/c1-10-2-4-13-20-12(6-15(24)22(13)7-10)9-21-8-11(16(17,18)19)3-5-14(21)23/h2-8H,9H2,1H3
InChIKeyPMAOZYFJPCJJKL-UHFFFAOYSA-N
XLogP2.23
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]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

Related Compounds

2-[[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2085635
7-Bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2649456
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2,2,2-trifluoroacetamide
CID 18566185
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
3,8-Dimethyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 59284023
7-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401966
8-Methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401972
2-Ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 118544476
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374197
2-Butyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 141214891
2-Ethyl-3,9-difluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 147335907
2-(Difluoromethyl)-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 148851267

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2439152) is 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(Cn3cc(C(F)(F)F)ccc3=O)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PMAOZYFJPCJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-10-2-4-13-20-12(6-15(24)22(13)7-10)9-21-8-11(16(17,18)19)3-5-14(21)23/h2-8H,9H2,1H3.
What are the key properties of 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 335.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2439152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).