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

C20H26N6O2 — CID 137018717

IUPAC3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C20H26N6O2/c1-12-17(20-23-18(25-28-20)14-5-3-2-4-6-14)19-22-16(27)11-15(26(19)24-12)13-7-9-21-10-8-13/h11,13-14,21H,2-10H2,1H3,(H,22,27)
InChIKeyJHHXKIHJBLYYOR-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.90
Rot. Bonds3

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

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018717) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(3-cyclohexyl-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-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018717
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C20H26N6O2/c1-12-17(20-23-18(25-28-20)14-5-3-2-4-6-14)19-22-16(27)11-15(26(19)24-12)13-7-9-21-10-8-13/h11,13-14,21H,2-10H2,1H3,(H,22,27)
InChIKeyJHHXKIHJBLYYOR-UHFFFAOYSA-N
XLogP2.90
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-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-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018717) is 3-(3-cyclohexyl-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-cyclohexyl-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-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1-c1nc(C2CCCCC2)no1.
What is the InChIKey of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JHHXKIHJBLYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-17(20-23-18(25-28-20)14-5-3-2-4-6-14)19-22-16(27)11-15(26(19)24-12)13-7-9-21-10-8-13/h11,13-14,21H,2-10H2,1H3,(H,22,27).
What are the key properties of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(3-cyclohexyl-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 382.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-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 137018717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).