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

C14H15N5OS — CID 137018669

IUPAC7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
InChIInChI=1S/C14H15N5OS/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)
InChIKeyHRDUCODKRUSLHO-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.61
Rot. Bonds2

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

7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018669) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018669
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3ccns3)c2[nH]1
InChIInChI=1S/C14H15N5OS/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)
InChIKeyHRDUCODKRUSLHO-UHFFFAOYSA-N
XLogP1.61
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 59
CID 137018249
US10118930, Example 66
CID 137018486
US10118930, Example 68
CID 137018655
US10118930, Example 375
CID 137018745
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
7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251842
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
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide
CID 167970394

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?
The IUPAC name of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018669) is 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is 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?
The InChIKey is HRDUCODKRUSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/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).
What are the key properties of 7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-3-(1,2-thiazol-5-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 301.38 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 137018669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).