N-[(4-fluoranyl-3-methyl-phenyl)methyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CS4)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CS4)C)F

InChI

InChI=1S/C21H19FN4OS/c1-13-8-15(5-6-19(13)22)10-23-21(27)17-9-14(2)25-20-18(17)11-24-26(20)12-16-4-3-7-28-16/h3-9,11H,10,12H2,1-2H3,(H,23,27)