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CHEBI:117021 - 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

ChEBI IDCHEBI:117021
ChEBI Name5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
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FormulaC25H26N4O3
Net Charge0
Average Mass430.508
Monoisotopic Mass430.20049
SMILESCC(C)(C)c1nn(-c2ccccc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2
InChIInChI=1S/C25H26N4O3/c1-25(2,3)22-19-12-17(14-26-13-16-9-10-20-21(11-16)32-15-31-20)24(30)27-23(19)29(28-22)18-7-5-4-6-8-18/h4-12,26,28H,13-15H2,1-3H3
InChIKeyXSNOIGMPNQTIHN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one (CHEBI:117021) is a pyrazoles (CHEBI:26410)
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one (CHEBI:117021) is a ring assembly (CHEBI:36820)
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