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

Systemtic Name: 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-4-(4-methyl-1-piperazinyl)-N-[oxo-(3-phenoxyanilino)methyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-[(3-phenoxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1,3-dimethyl-4-(4-methylpiperazino)-N-[(3-phenoxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C27H29N7O3 MolecularWeight: 499.56426

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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)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N3CCN(CC3)C)C(=O)NC(=O)NC4=CC(=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C27H29N7O3/c1-18-23-24(34-14-12-32(2)13-15-34)22(17-28-25(23)33(3)31-18)26(35)30-27(36)29-19-8-7-11-21(16-19)37-20-9-5-4-6-10-20/h4-11,16-17H,12-15H2,1-3H3,(H2,29,30,35,36)