N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC#N)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC#N)C

InChI

InChI=1S/C21H17N5OS/c1-13-19-16(21(27)23-15-7-5-14(6-8-15)9-10-22)12-17(18-4-3-11-28-18)24-20(19)26(2)25-13/h3-8,11-12H,9H2,1-2H3,(H,23,27)