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

C17H22N6O2 — CID 137018489

IUPAC3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)16-22-21-15(25-16)11-9-19-23-12(8-13(24)20-14(11)23)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3,(H,20,24)
InChIKeyNAPGLBNNFRKFLG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.84
Rot. Bonds2

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

3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018489) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018489
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)(C)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)16-22-21-15(25-16)11-9-19-23-12(8-13(24)20-14(11)23)10-4-6-18-7-5-10/h8-10,18H,4-7H2,1-3H3,(H,20,24)
InChIKeyNAPGLBNNFRKFLG-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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018489) is 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)(C)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1.
What is the InChIKey of 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NAPGLBNNFRKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-17(2,3)16-22-21-15(25-16)11-9-19-23-12(8-13(24)20-14(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-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-tert-butyl-1,3,4-oxadiazol-2-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-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).