6-phenyl-1-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-phenyl-1-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-isopropyl-6-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-phenyl-1-propan-2-yl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 6-phenyl-1-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-isopropyl-6-phenyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H32N8O MolecularWeight: 484.59598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H32N8O/c1-20(2)35-25-23(19-31-35)22(18-24(32-25)21-8-4-3-5-9-21)26(36)28-12-7-13-33-14-16-34(17-15-33)27-29-10-6-11-30-27/h3-6,8-11,18-20H,7,12-17H2,1-2H3,(H,28,36)