3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole

C17H13N7O — CID 71876216

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc(-c4cccc5cn[nH]c45)n3)c2n1
InChIInChI=1S/C17H13N7O/c1-9-6-10(2)24-16(20-9)13(8-19-24)15-21-17(25-23-15)12-5-3-4-11-7-18-22-14(11)12/h3-8H,1-2H3,(H,18,22)
InChIKeyWNGJTAIHSGWMCA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.94
Rot. Bonds2

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole (PubChem CID 71876216) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
PubChem CID71876216
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc(-c4cccc5cn[nH]c45)n3)c2n1
InChIInChI=1S/C17H13N7O/c1-9-6-10(2)24-16(20-9)13(8-19-24)15-21-17(25-23-15)12-5-3-4-11-7-18-22-14(11)12/h3-8H,1-2H3,(H,18,22)
InChIKeyWNGJTAIHSGWMCA-UHFFFAOYSA-N
XLogP2.94
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole (CID 71876216) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole is Cc1cc(C)n2ncc(-c3noc(-c4cccc5cn[nH]c45)n3)c2n1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole?
The InChIKey is WNGJTAIHSGWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-9-6-10(2)24-16(20-9)13(8-19-24)15-21-17(25-23-15)12-5-3-4-11-7-18-22-14(11)12/h3-8H,1-2H3,(H,18,22).
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole has a molecular weight of 331.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71876216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).