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

C17H22N6O2 — CID 137026024

IUPAC3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCCc1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C17H22N6O2/c1-2-3-4-15-21-22-17(25-15)12-10-19-23-13(9-14(24)20-16(12)23)11-5-7-18-8-6-11/h9-11,18H,2-8H2,1H3,(H,20,24)
InChIKeySSPAEUKODOHJTK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds5

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

3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137026024) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137026024
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCCCc1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C17H22N6O2/c1-2-3-4-15-21-22-17(25-15)12-10-19-23-13(9-14(24)20-16(12)23)11-5-7-18-8-6-11/h9-11,18H,2-8H2,1H3,(H,20,24)
InChIKeySSPAEUKODOHJTK-UHFFFAOYSA-N
XLogP1.88
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10118930, Example 352
CID 137018395
US10118930, Example 463
CID 137018607
US10118930, Example 289
CID 137018651
US10118930, Example 82
CID 137018277
US10118930, Example 282
CID 137018426
US10118930, Example 21
CID 137018451
US10118930, Example 321
CID 137018455
US10118930, Example 16
CID 137018461
US10118930, Example 358
CID 137018472
US10118930, Example 165
CID 137018489
US10118930, Example 173
CID 137018525
US10118930, Example 325
CID 137018531

Frequently Asked Questions

What is the IUPAC name of 3-(5-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-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137026024) is 3-(5-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-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-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCCCc1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1.
What is the InChIKey of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is SSPAEUKODOHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-3-4-15-21-22-17(25-15)12-10-19-23-13(9-14(24)20-16(12)23)11-5-7-18-8-6-11/h9-11,18H,2-8H2,1H3,(H,20,24).
What are the key properties of 3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-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 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butyl-1,3,4-oxadiazol-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137026024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).