2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C17H16FN5O2 — CID 137374197

IUPAC2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1[nH]cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F
InChIInChI=1S/C17H16FN5O2/c18-13-7-11(9-20-17(13)25)14-8-16(24)23-10-12(1-2-15(23)21-14)22-5-3-19-4-6-22/h1-2,7-10,19H,3-6H2,(H,20,25)
InChIKeyIINDHTUXJXGKFO-UHFFFAOYSA-N
MW341.35 g/mol
LogP0.60
Rot. Bonds2

About 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 137374197) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID137374197
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1[nH]cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F
InChIInChI=1S/C17H16FN5O2/c18-13-7-11(9-20-17(13)25)14-8-16(24)23-10-12(1-2-15(23)21-14)22-5-3-19-4-6-22/h1-2,7-10,19H,3-6H2,(H,20,25)
InChIKeyIINDHTUXJXGKFO-UHFFFAOYSA-N
XLogP0.60
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 137374197) is 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1[nH]cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.
What is the InChIKey of 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IINDHTUXJXGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-13-7-11(9-20-17(13)25)14-8-16(24)23-10-12(1-2-15(23)21-14)22-5-3-19-4-6-22/h1-2,7-10,19H,3-6H2,(H,20,25).
What are the key properties of 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 341.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).