2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H19FN4O — CID 51210443

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3F)CC2)nc2ccccn12
InChIInChI=1S/C19H19FN4O/c20-16-5-1-2-6-17(16)23-11-9-22(10-12-23)14-15-13-19(25)24-8-4-3-7-18(24)21-15/h1-8,13H,9-12,14H2
InChIKeyIEUDIBGOLIWXGA-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.16
Rot. Bonds3

About 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51210443) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51210443
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3F)CC2)nc2ccccn12
InChIInChI=1S/C19H19FN4O/c20-16-5-1-2-6-17(16)23-11-9-22(10-12-23)14-15-13-19(25)24-8-4-3-7-18(24)21-15/h1-8,13H,9-12,14H2
InChIKeyIEUDIBGOLIWXGA-UHFFFAOYSA-N
XLogP2.16
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51210443) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCN(c3ccccc3F)CC2)nc2ccccn12.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IEUDIBGOLIWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-5-1-2-6-17(16)23-11-9-22(10-12-23)14-15-13-19(25)24-8-4-3-7-18(24)21-15/h1-8,13H,9-12,14H2.
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 338.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51210443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).