9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one

C16H10BrF4N3O — CID 90666162

IUPAC9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESNc1cc(Br)cn2cc(Cc3ccc(F)cc3C(F)(F)F)c(=O)nc12
InChIInChI=1S/C16H10BrF4N3O/c17-10-4-13(22)14-23-15(25)9(6-24(14)7-10)3-8-1-2-11(18)5-12(8)16(19,20)21/h1-2,4-7H,3,22H2
InChIKeyPNFBLIXYFARMMQ-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.79
Rot. Bonds2

About 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one

9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666162) has the molecular formula C16H10BrF4N3O and a molecular weight of 416.17 g/mol. Its IUPAC name is 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID90666162
Molecular FormulaC16H10BrF4N3O
Molecular Weight416.17 g/mol
Exact Mass414.99
IUPAC Name9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESNc1cc(Br)cn2cc(Cc3ccc(F)cc3C(F)(F)F)c(=O)nc12
InChIInChI=1S/C16H10BrF4N3O/c17-10-4-13(22)14-23-15(25)9(6-24(14)7-10)3-8-1-2-11(18)5-12(8)16(19,20)21/h1-2,4-7H,3,22H2
InChIKeyPNFBLIXYFARMMQ-UHFFFAOYSA-N
XLogP3.79
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-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 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one (CID 90666162) is 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is Nc1cc(Br)cn2cc(Cc3ccc(F)cc3C(F)(F)F)c(=O)nc12.
What is the InChIKey of 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is PNFBLIXYFARMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF4N3O/c17-10-4-13(22)14-23-15(25)9(6-24(14)7-10)3-8-1-2-11(18)5-12(8)16(19,20)21/h1-2,4-7H,3,22H2.
What are the key properties of 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one?
9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 416.17 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-bromo-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).