5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C15H19N7O — CID 120959451

IUPAC5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cc2ncc(-c3nc(C4CNCCN4C)no3)c(C)n2n1
InChIInChI=1S/C15H19N7O/c1-9-6-13-17-7-11(10(2)22(13)19-9)15-18-14(20-23-15)12-8-16-4-5-21(12)3/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyIRWJJXHOVLCSLG-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.97
Rot. Bonds2

About 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120959451) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120959451
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cc2ncc(-c3nc(C4CNCCN4C)no3)c(C)n2n1
InChIInChI=1S/C15H19N7O/c1-9-6-13-17-7-11(10(2)22(13)19-9)15-18-14(20-23-15)12-8-16-4-5-21(12)3/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyIRWJJXHOVLCSLG-UHFFFAOYSA-N
XLogP0.97
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
3-(1-methylpiperazin-2-yl)-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 120957198
3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 120957326
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120959451) is 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1cc2ncc(-c3nc(C4CNCCN4C)no3)c(C)n2n1.
What is the InChIKey of 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is IRWJJXHOVLCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-9-6-13-17-7-11(10(2)22(13)19-9)15-18-14(20-23-15)12-8-16-4-5-21(12)3/h6-7,12,16H,4-5,8H2,1-3H3.
What are the key properties of 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 313.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120959451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).