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

C17H22N6O3 — CID 137018610

IUPAC3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C17H22N6O3/c1-10-15(17-19-13(22-26-17)5-8-25-2)16-20-14(24)9-12(23(16)21-10)11-3-6-18-7-4-11/h9,11,18H,3-8H2,1-2H3,(H,20,24)
InChIKeyLLSMNSCKHVEJRM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.04
Rot. Bonds5

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

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018610) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018610
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C17H22N6O3/c1-10-15(17-19-13(22-26-17)5-8-25-2)16-20-14(24)9-12(23(16)21-10)11-3-6-18-7-4-11/h9,11,18H,3-8H2,1-2H3,(H,20,24)
InChIKeyLLSMNSCKHVEJRM-UHFFFAOYSA-N
XLogP1.04
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018610) is 3-[3-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is COCCc1noc(-c2c(C)nn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LLSMNSCKHVEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10-15(17-19-13(22-26-17)5-8-25-2)16-20-14(24)9-12(23(16)21-10)11-3-6-18-7-4-11/h9,11,18H,3-8H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-(2-methoxyethyl)-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 358.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-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 137018610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).