N-(benzimidazol-1-yl)-1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(benzimidazol-1-yl)-1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(benzimidazol-1-yl)-1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(1-benzimidazolyl)-1-[(3-fluorophenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(benzimidazol-1-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(benzimidazol-1-yl)-1-(3-fluorobenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H19FN6O MolecularWeight: 462.477763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC(=CC=C4)F)C(=C2)C(=O)NN5C=NC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC(=CC=C4)F)C(=C2)C(=O)NN5C=NC6=CC=CC=C65

InChI

InChI=1S/C27H19FN6O/c28-20-10-6-7-18(13-20)16-33-26-22(15-30-33)21(14-24(31-26)19-8-2-1-3-9-19)27(35)32-34-17-29-23-11-4-5-12-25(23)34/h1-15,17H,16H2,(H,32,35)