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

C15H18N6O2 — CID 137018660

IUPAC2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C15H18N6O2/c1-8-13(15-17-9(2)20-23-15)14-18-12(22)7-11(21(14)19-8)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3,(H,18,22)
InChIKeyQJBMTWULIWFSBO-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.16
Rot. Bonds2

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

2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018660) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018660
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C15H18N6O2/c1-8-13(15-17-9(2)20-23-15)14-18-12(22)7-11(21(14)19-8)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3,(H,18,22)
InChIKeyQJBMTWULIWFSBO-UHFFFAOYSA-N
XLogP1.16
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018660) is 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QJBMTWULIWFSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-8-13(15-17-9(2)20-23-15)14-18-12(22)7-11(21(14)19-8)10-3-5-16-6-4-10/h7,10,16H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 314.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).