7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one

C15H16N6O — CID 137373844

IUPAC7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2cn[nH]c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C15H16N6O/c22-15-7-13(11-8-17-18-9-11)19-14-2-1-12(10-21(14)15)20-5-3-16-4-6-20/h1-2,7-10,16H,3-6H2,(H,17,18)
InChIKeyXRAZLYSPAGQJEM-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.49
Rot. Bonds2

About 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137373844) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID137373844
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2cn[nH]c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C15H16N6O/c22-15-7-13(11-8-17-18-9-11)19-14-2-1-12(10-21(14)15)20-5-3-16-4-6-20/h1-2,7-10,16H,3-6H2,(H,17,18)
InChIKeyXRAZLYSPAGQJEM-UHFFFAOYSA-N
XLogP0.49
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 137373844) is 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(-c2cn[nH]c2)nc2ccc(N3CCNCC3)cn12.
What is the InChIKey of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XRAZLYSPAGQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-15-7-13(11-8-17-18-9-11)19-14-2-1-12(10-21(14)15)20-5-3-16-4-6-20/h1-2,7-10,16H,3-6H2,(H,17,18).
What are the key properties of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 296.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137373844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).