N-[(3-bromophenyl)carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(3-bromophenyl)carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(3-bromophenyl)carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(3-bromoanilino)-oxomethyl]-1,3-dimethyl-4-(4-methyl-1-piperazinyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(3-bromophenyl)carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(3-bromophenyl)carbamoyl]-1,3-dimethyl-4-(4-methylpiperazino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H24BrN7O2 MolecularWeight: 486.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N3CCN(CC3)C)C(=O)NC(=O)NC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N3CCN(CC3)C)C(=O)NC(=O)NC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C21H24BrN7O2/c1-13-17-18(29-9-7-27(2)8-10-29)16(12-23-19(17)28(3)26-13)20(30)25-21(31)24-15-6-4-5-14(22)11-15/h4-6,11-12H,7-10H2,1-3H3,(H2,24,25,30,31)