N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C26H27N5O2S MolecularWeight: 473.58988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)NC(=O)C5CCC5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)NC(=O)C5CCC5

InChI

InChI=1S/C26H27N5O2S/c1-16(2)31-24-21(15-28-31)20(13-22(30-24)23-10-5-11-34-23)26(33)27-14-17-6-3-9-19(12-17)29-25(32)18-7-4-8-18/h3,5-6,9-13,15-16,18H,4,7-8,14H2,1-2H3,(H,27,33)(H,29,32)