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

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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).