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

C14H17N7O — CID 86808870

IUPAC3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ncnc4c3cnn4C)C2)n1
InChIInChI=1S/C14H17N7O/c1-9-18-14(22-19-9)10-4-3-5-21(7-10)13-11-6-17-20(2)12(11)15-8-16-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyYHBPEOPHAZAAFV-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.44
Rot. Bonds2

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

3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 86808870) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID86808870
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ncnc4c3cnn4C)C2)n1
InChIInChI=1S/C14H17N7O/c1-9-18-14(22-19-9)10-4-3-5-21(7-10)13-11-6-17-20(2)12(11)15-8-16-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyYHBPEOPHAZAAFV-UHFFFAOYSA-N
XLogP1.44
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole (CID 86808870) is 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2CCCN(c3ncnc4c3cnn4C)C2)n1.
What is the InChIKey of 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is YHBPEOPHAZAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-9-18-14(22-19-9)10-4-3-5-21(7-10)13-11-6-17-20(2)12(11)15-8-16-13/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 299.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 86808870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).