N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-cyclopropyl-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N[C@@H](CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5)C

InChI

InChI=1S/C27H26N6O/c1-16-24-19(15-22(18-12-13-18)30-26(24)33(2)32-16)27(34)31-23(14-17-8-4-3-5-9-17)25-28-20-10-6-7-11-21(20)29-25/h3-11,15,18,23H,12-14H2,1-2H3,(H,28,29)(H,31,34)/t23-/m0/s1