1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-methyl-4-[[3-(trifluoromethyl)benzyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C16H12F3N4O2- MolecularWeight: 349.28729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C16H13F3N4O2/c1-23-14-11(8-22-23)13(12(7-21-14)15(24)25)20-6-9-3-2-4-10(5-9)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,20,21)(H,24,25)/p-1