1,3-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1,3-dimethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1,3-dimethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)C

InChI

InChI=1S/C21H16N4OS/c1-14-19-12-16(13-22-20(19)25(2)24-14)21(26)23-17-6-3-5-15(11-17)8-9-18-7-4-10-27-18/h3-7,10-13H,1-2H3,(H,23,26)