N-[3-(benzimidazol-1-yl)propyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCCN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H22N6OS/c1-16-12-18(19-13-26-29(22(19)27-16)14-17-6-4-11-31-17)23(30)24-9-5-10-28-15-25-20-7-2-3-8-21(20)28/h2-4,6-8,11-13,15H,5,9-10,14H2,1H3,(H,24,30)