tert-butyl 4-[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N5O3/c1-17-6-8-19(9-7-17)16-30-22-21(15-26-30)20(14-18(2)27-22)23(31)28-10-12-29(13-11-28)24(32)33-25(3,4)5/h6-9,14-15H,10-13,16H2,1-5H3