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

C15H17N5OS — CID 110132644

IUPAC5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCN(Cc3nccs3)CC2)nc2cc[nH]n12
InChIInChI=1S/C15H17N5OS/c21-15-9-12(18-13-1-4-17-20(13)15)11-2-6-19(7-3-11)10-14-16-5-8-22-14/h1,4-5,8-9,11,17H,2-3,6-7,10H2
InChIKeyUFQZKLFSJKTAQZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.86
Rot. Bonds3

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

5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132644) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132644
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCN(Cc3nccs3)CC2)nc2cc[nH]n12
InChIInChI=1S/C15H17N5OS/c21-15-9-12(18-13-1-4-17-20(13)15)11-2-6-19(7-3-11)10-14-16-5-8-22-14/h1,4-5,8-9,11,17H,2-3,6-7,10H2
InChIKeyUFQZKLFSJKTAQZ-UHFFFAOYSA-N
XLogP1.86
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132644) is 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCN(Cc3nccs3)CC2)nc2cc[nH]n12.
What is the InChIKey of 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UFQZKLFSJKTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c21-15-9-12(18-13-1-4-17-20(13)15)11-2-6-19(7-3-11)10-14-16-5-8-22-14/h1,4-5,8-9,11,17H,2-3,6-7,10H2.
What are the key properties of 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 315.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).