tert-butyl 3-[3-azanyl-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-azanyl-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-amino-6-(2-benzyloxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[3-amino-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-amino-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[3-amino-6-(2-benzoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC3=NNC(=C23)N)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=NC3=NNC(=C23)N)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3/c1-29(2,3)37-28(35)34-15-9-12-20(17-34)22-16-23(31-27-25(22)26(30)32-33-27)21-13-7-8-14-24(21)36-18-19-10-5-4-6-11-19/h4-8,10-11,13-14,16,20H,9,12,15,17-18H2,1-3H3,(H3,30,31,32,33)