(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(3-fluorobenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C27H25FN4O3 MolecularWeight: 472.510803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=NC3=C2C=NN3CC4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=NC3=C2C=NN3CC4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H25FN4O3/c1-18(26(33)31-12-5-6-13-31)35-27(34)22-15-24(20-9-3-2-4-10-20)30-25-23(22)16-29-32(25)17-19-8-7-11-21(28)14-19/h2-4,7-11,14-16,18H,5-6,12-13,17H2,1H3