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

Systemtic Name: N-[(2S)-butan-2-yl]-3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 3-methyl-N-[(1S)-1-methylpropyl]-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 3-methyl-N-[(1S)-1-methylpropyl]-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C4=CC=CS4

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C4=CC=CS4

InChI

InChI=1S/C22H22N4OS/c1-4-14(2)23-22(27)17-13-18(19-11-8-12-28-19)24-21-20(17)15(3)25-26(21)16-9-6-5-7-10-16/h5-14H,4H2,1-3H3,(H,23,27)/t14-/m0/s1