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

C18H22N6O2 — CID 137018399

IUPAC3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCCC4)n3)c2[nH]1
InChIInChI=1S/C18H22N6O2/c25-15-9-14(11-5-7-19-8-6-11)24-17(21-15)13(10-20-24)16-22-18(26-23-16)12-3-1-2-4-12/h9-12,19H,1-8H2,(H,21,25)
InChIKeyCUQVNSOHGBGHTK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.20
Rot. Bonds3

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

3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018399) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018399
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCCC4)n3)c2[nH]1
InChIInChI=1S/C18H22N6O2/c25-15-9-14(11-5-7-19-8-6-11)24-17(21-15)13(10-20-24)16-22-18(26-23-16)12-3-1-2-4-12/h9-12,19H,1-8H2,(H,21,25)
InChIKeyCUQVNSOHGBGHTK-UHFFFAOYSA-N
XLogP2.20
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018399) is 3-(5-cyclopentyl-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-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3noc(C4CCCC4)n3)c2[nH]1.
What is the InChIKey of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CUQVNSOHGBGHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-15-9-14(11-5-7-19-8-6-11)24-17(21-15)13(10-20-24)16-22-18(26-23-16)12-3-1-2-4-12/h9-12,19H,1-8H2,(H,21,25).
What are the key properties of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).