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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-isopropyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CS4

InChI

InChI=1S/C25H27N5O2S/c1-15(2)24(31)28-18-8-5-7-17(11-18)13-26-25(32)19-12-21(22-9-6-10-33-22)29-23-20(19)14-27-30(23)16(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,32)(H,28,31)