[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 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-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 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-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CS5)C

InChI

InChI=1S/C27H28N4O3S/c1-17-9-7-10-18(2)30(17)24(32)16-34-27(33)21-15-22(23-13-8-14-35-23)28-26-25(21)19(3)29-31(26)20-11-5-4-6-12-20/h4-6,8,11-15,17-18H,7,9-10,16H2,1-3H3