7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C15H17ClN4OS — CID 137251733

IUPAC7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1
InChIInChI=1S/C15H16N4OS.ClH/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,18,20);1H
InChIKeyHLEUXCHIVGYEFO-UHFFFAOYSA-N
MW336.85 g/mol
LogP2.64
Rot. Bonds2

About 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251733) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251733
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1
InChIInChI=1S/C15H16N4OS.ClH/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,18,20);1H
InChIKeyHLEUXCHIVGYEFO-UHFFFAOYSA-N
XLogP2.64
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251733) is 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2ncc(-c3cccs3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is HLEUXCHIVGYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.ClH/c20-14-8-12(10-3-5-16-6-4-10)19-15(18-14)11(9-17-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,18,20);1H.
What are the key properties of 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 336.85 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).