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

C15H9BrF3N3O2 — CID 2649456

IUPAC7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyPPDWQRFEDNTTNH-UHFFFAOYSA-N
MW400.15 g/mol
LogP2.69
Rot. Bonds2

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

7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2649456) has the molecular formula C15H9BrF3N3O2 and a molecular weight of 400.15 g/mol. Its IUPAC name is 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2649456
Molecular FormulaC15H9BrF3N3O2
Molecular Weight400.15 g/mol
Exact Mass398.98
IUPAC Name7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2
InChIKeyPPDWQRFEDNTTNH-UHFFFAOYSA-N
XLogP2.69
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2649456) is 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PPDWQRFEDNTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O2/c16-10-2-3-12-20-11(5-14(24)22(12)7-10)8-21-6-9(15(17,18)19)1-4-13(21)23/h1-7H,8H2.
What are the key properties of 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 400.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2649456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).