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

C15H18N6O2 — CID 137018310

IUPAC3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C15H18N6O2/c1-2-13-19-14(20-23-13)10-8-17-21-11(7-12(22)18-15(10)21)9-3-5-16-6-4-9/h7-9,16H,2-6H2,1H3,(H,18,22)
InChIKeyCAFMNXCEKXCWKA-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.10
Rot. Bonds3

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

3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018310) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018310
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C15H18N6O2/c1-2-13-19-14(20-23-13)10-8-17-21-11(7-12(22)18-15(10)21)9-3-5-16-6-4-9/h7-9,16H,2-6H2,1H3,(H,18,22)
InChIKeyCAFMNXCEKXCWKA-UHFFFAOYSA-N
XLogP1.10
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018310) is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CAFMNXCEKXCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-2-13-19-14(20-23-13)10-8-17-21-11(7-12(22)18-15(10)21)9-3-5-16-6-4-9/h7-9,16H,2-6H2,1H3,(H,18,22).
What are the key properties of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 314.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).