3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H15FN2O2 — CID 146421400

IUPAC3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C(C)O)c(-c3cccc(F)c3)c(=O)n2c1
InChIInChI=1S/C17H15FN2O2/c1-10-6-7-14-19-16(11(2)21)15(17(22)20(14)9-10)12-4-3-5-13(18)8-12/h3-9,11,21H,1-2H3
InChIKeyHMFWHACZDSZBCO-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.86
Rot. Bonds2

About 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 146421400) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID146421400
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C(C)O)c(-c3cccc(F)c3)c(=O)n2c1
InChIInChI=1S/C17H15FN2O2/c1-10-6-7-14-19-16(11(2)21)15(17(22)20(14)9-10)12-4-3-5-13(18)8-12/h3-9,11,21H,1-2H3
InChIKeyHMFWHACZDSZBCO-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 146421400) is 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C(C)O)c(-c3cccc(F)c3)c(=O)n2c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HMFWHACZDSZBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-6-7-14-19-16(11(2)21)15(17(22)20(14)9-10)12-4-3-5-13(18)8-12/h3-9,11,21H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(1-hydroxyethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146421400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).