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

Systemtic Name: methyl 4-(4-cyclohexylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 4-(4-cyclohexylpiperazin-1-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(4-cyclohexylpiperazino)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C2C(=C1N3CCN(CC3)C4CCCCC4)C=NN2C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CN=C2C(=C1N3CCN(CC3)C4CCCCC4)C=NN2C5=CC=CC=C5

InChI

InChI=1S/C24H29N5O2/c1-31-24(30)21-16-25-23-20(17-26-29(23)19-10-6-3-7-11-19)22(21)28-14-12-27(13-15-28)18-8-4-2-5-9-18/h3,6-7,10-11,16-18H,2,4-5,8-9,12-15H2,1H3