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

C15H17ClN6O — CID 137374023

IUPAC7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1cc(-c2cn[nH]c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C15H16N6O.ClH/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);1H
InChIKeyDHTFRIFUHMJZBB-UHFFFAOYSA-N
MW332.80 g/mol
LogP0.92
Rot. Bonds2

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

7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 137374023) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID137374023
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1cc(-c2cn[nH]c2)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C15H16N6O.ClH/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);1H
InChIKeyDHTFRIFUHMJZBB-UHFFFAOYSA-N
XLogP0.92
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 50.92
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;hydrochloride?
The IUPAC name of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 137374023) is 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is DHTFRIFUHMJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O.ClH/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);1H.
What are the key properties of 7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
7-piperazin-1-yl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 0.92, 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;hydrochloride is sourced from PubChem (CID 137374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).