3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole

C17H23N7O — CID 120957326

IUPAC3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CNCCN3C)no2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H23N7O/c1-10(2)24-16-13(8-19-24)12(7-11(3)20-16)17-21-15(22-25-17)14-9-18-5-6-23(14)4/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyMIZRJEZGIKJIOY-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.95
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 120957326) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole
PubChem CID120957326
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CNCCN3C)no2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C17H23N7O/c1-10(2)24-16-13(8-19-24)12(7-11(3)20-16)17-21-15(22-25-17)14-9-18-5-6-23(14)4/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyMIZRJEZGIKJIOY-UHFFFAOYSA-N
XLogP1.95
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.95
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
1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854020
5-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959451
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
2-methyl-N-(3-methylbutan-2-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120958406
5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958667
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
3-(1-methylpiperazin-2-yl)-5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120959020
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole (CID 120957326) is 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(C3CNCCN3C)no2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MIZRJEZGIKJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)24-16-13(8-19-24)12(7-11(3)20-16)17-21-15(22-25-17)14-9-18-5-6-23(14)4/h7-8,10,14,18H,5-6,9H2,1-4H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 341.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).