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

Systemtic Name: N-cyclohexyl-N-ethyl-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-cyclohexyl-N-ethyl-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-cyclohexyl-N-ethyl-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-cyclohexyl-N-ethyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-cyclohexyl-N-ethyl-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C26H28N4OS MolecularWeight: 444.59172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CCN(C1CCCCC1)C(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4OS/c1-2-29(20-12-7-4-8-13-20)26(31)24-23-21(22-14-9-17-32-22)15-16-27-25(23)30(28-24)18-19-10-5-3-6-11-19/h3,5-6,9-11,14-17,20H,2,4,7-8,12-13,18H2,1H3