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

C15H17ClN4OS — CID 137026105

IUPAC7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H16N4OS.ClH/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,17,20);1H
InChIKeyYDPMQVHFRBXOHZ-UHFFFAOYSA-N
MW336.85 g/mol
LogP2.64
Rot. Bonds2

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

7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137026105) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137026105
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H16N4OS.ClH/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,17,20);1H
InChIKeyYDPMQVHFRBXOHZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
CID 6460999
2-thiophen-2-yl-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135939587
4-thiophen-2-yl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5-trien-8-one
CID 137004242
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
7-piperidin-3-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 24865424
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018486
3-(4-cyclopropyl-1,3-thiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251827
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
ethane;4-piperidin-4-yl-10-thiophen-3-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 144841598
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251873
7-cyclopropyl-2-propyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136868973
3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018459

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137026105) is 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is YDPMQVHFRBXOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.ClH/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13;/h1-2,7-10,16H,3-6H2,(H,17,20);1H.
What are the key properties of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-piperidin-4-yl-2-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-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137026105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).