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

C14H16ClN5OS — CID 137251842

IUPAC7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
InChIInChI=1S/C14H15N5OS.ClH/c20-13-7-11(9-1-4-15-5-2-9)19-14(18-13)10(8-16-19)12-3-6-17-21-12;/h3,6-9,15H,1-2,4-5H2,(H,18,20);1H
InChIKeyCZBYZWYUBFZBSX-UHFFFAOYSA-N
MW337.84 g/mol
LogP2.03
Rot. Bonds2

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

7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137251842) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137251842
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
InChIInChI=1S/C14H15N5OS.ClH/c20-13-7-11(9-1-4-15-5-2-9)19-14(18-13)10(8-16-19)12-3-6-17-21-12;/h3,6-9,15H,1-2,4-5H2,(H,18,20);1H
InChIKeyCZBYZWYUBFZBSX-UHFFFAOYSA-N
XLogP2.03
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

US10118930, Example 59
CID 137018249
US10118930, Example 66
CID 137018486
US10118930, Example 68
CID 137018655
US10118930, Example 373
CID 137018669
US10118930, Example 375
CID 137018745
7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026105
3-(2-methylpyrazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137026164
7-piperidin-4-yl-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251733
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251815
4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carbaldehyde
CID 139333554
1-phenyl-6-(1,2-thiazol-5-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137934459

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137251842) is 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is CZBYZWYUBFZBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS.ClH/c20-13-7-11(9-1-4-15-5-2-9)19-14(18-13)10(8-16-19)12-3-6-17-21-12;/h3,6-9,15H,1-2,4-5H2,(H,18,20);1H.
What are the key properties of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 337.84 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137251842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).