5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C17H23N7O2 — CID 70777010

IUPAC5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN(c3ncnc4c3c(C)nn4C)C2)n1
InChIInChI=1S/C17H23N7O2/c1-11-14-15(23(2)21-11)18-10-19-16(14)24-7-4-5-12(9-24)17-20-13(22-26-17)6-8-25-3/h10,12H,4-9H2,1-3H3
InChIKeyWKRHGLAYGFAHDR-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.63
Rot. Bonds5

About 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 70777010) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID70777010
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN(c3ncnc4c3c(C)nn4C)C2)n1
InChIInChI=1S/C17H23N7O2/c1-11-14-15(23(2)21-11)18-10-19-16(14)24-7-4-5-12(9-24)17-20-13(22-26-17)6-8-25-3/h10,12H,4-9H2,1-3H3
InChIKeyWKRHGLAYGFAHDR-UHFFFAOYSA-N
XLogP1.63
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 70777010) is 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(C2CCCN(c3ncnc4c3c(C)nn4C)C2)n1.
What is the InChIKey of 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is WKRHGLAYGFAHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-11-14-15(23(2)21-11)18-10-19-16(14)24-7-4-5-12(9-24)17-20-13(22-26-17)6-8-25-3/h10,12H,4-9H2,1-3H3.
What are the key properties of 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 357.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70777010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).