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

C16H20N6O2 — CID 137018744

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C16H20N6O2/c1-3-12-18-16(24-21-12)14-9(2)20-22-11(8-13(23)19-15(14)22)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3,(H,19,23)
InChIKeyPMQRROGEADXFMI-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.41
Rot. Bonds3

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

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018744) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018744
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C16H20N6O2/c1-3-12-18-16(24-21-12)14-9(2)20-22-11(8-13(23)19-15(14)22)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3,(H,19,23)
InChIKeyPMQRROGEADXFMI-UHFFFAOYSA-N
XLogP1.41
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018744) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PMQRROGEADXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-3-12-18-16(24-21-12)14-9(2)20-22-11(8-13(23)19-15(14)22)10-4-6-17-7-5-10/h8,10,17H,3-7H2,1-2H3,(H,19,23).
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 328.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).