T74

N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
IdentifiersN-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-N'-(4-piperazin-1-ylphenyl)pyrazolo[5,4-d]pyrimidine-3,6-diamine
FormulaC29 H38 N8 O
Molecular Weight514.665
TypeNON-POLYMER
Isomeric SMILESCc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C
InChIInChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34)
InChIKeyRDCUCMDUDZPOOV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count0
Bond Count80
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL472392
PubChem 15965424
ChEMBL CHEMBL472392