N-(2-methylpropyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-isobutyl-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-(2-methylpropyl)-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(2-methylpropyl)-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-isobutyl-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NN(C2=NC=CC(=C12)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=NN(C2=NC=CC(=C12)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-15(2)13-24-22(27)20-19-17(18-9-6-12-28-18)10-11-23-21(19)26(25-20)14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3,(H,24,27)