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

C17H22N6O2 — CID 137018314

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3,(H,20,24)
InChIKeyMXEQLEUWLJMBHC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.84
Rot. Bonds2

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

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018314) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018314
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3,(H,20,24)
InChIKeyMXEQLEUWLJMBHC-UHFFFAOYSA-N
XLogP1.84
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018314) is 3-(5-tert-butyl-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-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)(C)c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MXEQLEUWLJMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-17(2,3)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3,(H,20,24).
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 342.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).