2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C18H17FN4O2 — CID 142511008

IUPAC2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2cc(O)cc(F)c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C18H17FN4O2/c19-13-7-12(8-15(24)9-13)16-10-18(25)23-11-14(1-2-17(23)21-16)22-5-3-20-4-6-22/h1-2,7-11,20,24H,3-6H2
InChIKeySTKKJKOQCPRGIN-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511008) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511008
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2cc(O)cc(F)c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C18H17FN4O2/c19-13-7-12(8-15(24)9-13)16-10-18(25)23-11-14(1-2-17(23)21-16)22-5-3-20-4-6-22/h1-2,7-11,20,24H,3-6H2
InChIKeySTKKJKOQCPRGIN-UHFFFAOYSA-N
XLogP1.62
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-5-(5-fluoro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11392536
3-Amino-5-(2-fluoro-6-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11185783
3-Amino-5-(4-fluoro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11220427
3-Amino-5-(3-fluoro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11289689
2-(2-Fluoro-4,5-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711615
7-Piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 71711681
2-(3-Fluoro-5-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711754
2-(3-Fluoro-4-hydroxyphenyl)-7-(piperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 89739380
2-(3-Fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89739437
2-[4-Hydroxy-3-(trifluoromethoxy)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89739590
2-(4-Fluoro-3-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740077
2-(3,5-Difluoro-4-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740279

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 142511008) is 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(-c2cc(O)cc(F)c2)nc2ccc(N3CCNCC3)cn12.
What is the InChIKey of 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is STKKJKOQCPRGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-7-12(8-15(24)9-13)16-10-18(25)23-11-14(1-2-17(23)21-16)22-5-3-20-4-6-22/h1-2,7-11,20,24H,3-6H2.
What are the key properties of 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-hydroxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).