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

Systemtic Name: tert-butyl 3-[3-acetamido-6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-acetamido-6-(2-benzyloxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[3-acetamido-6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-acetamido-6-(2-phenylmethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[3-acetamido-6-(2-benzoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC2=C1C(=CC(=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C5CCCN(C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NNC2=C1C(=CC(=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C5CCCN(C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H35N5O4/c1-20(37)32-28-27-24(22-13-10-16-36(18-22)30(38)40-31(2,3)4)17-25(33-29(27)35-34-28)23-14-8-9-15-26(23)39-19-21-11-6-5-7-12-21/h5-9,11-12,14-15,17,22H,10,13,16,18-19H2,1-4H3,(H2,32,33,34,35,37)