methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)F)C4CC4)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)F)C4CC4)C5=CC=CS5

InChI

InChI=1S/C21H16FN3O2S/c1-27-21(26)15-11-16(17-3-2-10-28-17)23-20-18(15)19(12-4-5-12)24-25(20)14-8-6-13(22)7-9-14/h2-3,6-12H,4-5H2,1H3