9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C14H14BrF2N3O — CID 176544732

IUPAC9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)cc(=O)n2c1
InChIInChI=1S/C14H14BrF2N3O/c1-9-6-10(15)13-18-11(7-12(21)20(13)8-9)19-4-2-14(16,17)3-5-19/h6-8H,2-5H2,1H3
InChIKeyGYOAJHLUDRCPBS-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.00
Rot. Bonds1

About 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one

9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 176544732) has the molecular formula C14H14BrF2N3O and a molecular weight of 358.19 g/mol. Its IUPAC name is 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID176544732
Molecular FormulaC14H14BrF2N3O
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)cc(=O)n2c1
InChIInChI=1S/C14H14BrF2N3O/c1-9-6-10(15)13-18-11(7-12(21)20(13)8-9)19-4-2-14(16,17)3-5-19/h6-8H,2-5H2,1H3
InChIKeyGYOAJHLUDRCPBS-UHFFFAOYSA-N
XLogP3.00
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[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 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 176544732) is 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(Br)c2nc(N3CCC(F)(F)CC3)cc(=O)n2c1.
What is the InChIKey of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GYOAJHLUDRCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O/c1-9-6-10(15)13-18-11(7-12(21)20(13)8-9)19-4-2-14(16,17)3-5-19/h6-8H,2-5H2,1H3.
What are the key properties of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.19 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176544732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).