1,3-dimethyl-6-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3-dimethyl-6-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1,3-dimethyl-6-phenyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1,3-dimethyl-6-phenyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-6-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1,3-dimethyl-6-phenyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C28H21N5O MolecularWeight: 443.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5)C

InChI

InChI=1S/C28H21N5O/c1-19-26-24(18-25(21-10-4-3-5-11-21)31-27(26)33(2)32-19)28(34)30-23-13-8-9-20(17-23)14-15-22-12-6-7-16-29-22/h3-13,16-18H,1-2H3,(H,30,34)