(2-chloranyl-6-fluoranyl-phenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C25H17ClFN3O2S MolecularWeight: 477.937783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=CC=C4Cl)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=CC=C4Cl)F)C5=CC=CC=C5

InChI

InChI=1S/C25H17ClFN3O2S/c1-15-23-17(25(31)32-14-18-19(26)9-5-10-20(18)27)13-21(22-11-6-12-33-22)28-24(23)30(29-15)16-7-3-2-4-8-16/h2-13H,14H2,1H3