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

C16H19ClN4OS — CID 137251815

IUPAC3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1.Cl
InChIInChI=1S/C16H18N4OS.ClH/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11;/h6-9,11,17H,2-5H2,1H3,(H,19,21);1H
InChIKeyLWKMFMDMWKEKNR-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.95
Rot. Bonds2

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

3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251815) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251815
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1.Cl
InChIInChI=1S/C16H18N4OS.ClH/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11;/h6-9,11,17H,2-5H2,1H3,(H,19,21);1H
InChIKeyLWKMFMDMWKEKNR-UHFFFAOYSA-N
XLogP2.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251815) is 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1.Cl.
What is the InChIKey of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is LWKMFMDMWKEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS.ClH/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11;/h6-9,11,17H,2-5H2,1H3,(H,19,21);1H.
What are the key properties of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 350.88 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).