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

C19H24N6O2 — CID 137018344

IUPAC3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCCC1c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C19H24N6O2/c1-11-3-2-4-13(11)19-23-17(24-27-19)14-10-21-25-15(9-16(26)22-18(14)25)12-5-7-20-8-6-12/h9-13,20H,2-8H2,1H3,(H,22,26)
InChIKeyATUBYBPXVCJCET-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.44
Rot. Bonds3

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

3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018344) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018344
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCCC1c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C19H24N6O2/c1-11-3-2-4-13(11)19-23-17(24-27-19)14-10-21-25-15(9-16(26)22-18(14)25)12-5-7-20-8-6-12/h9-13,20H,2-8H2,1H3,(H,22,26)
InChIKeyATUBYBPXVCJCET-UHFFFAOYSA-N
XLogP2.44
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018344) is 3-[5-(2-methylcyclopentyl)-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-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1CCCC1c1nc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ATUBYBPXVCJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-3-2-4-13(11)19-23-17(24-27-19)14-10-21-25-15(9-16(26)22-18(14)25)12-5-7-20-8-6-12/h9-13,20H,2-8H2,1H3,(H,22,26).
What are the key properties of 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 368.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopentyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).