3-[3-azanyl-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid

Systemtic Name: 3-[3-azanyl-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid Openeye Name: 3-[3-amino-6-(2-benzyloxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid CAS Name: 3-[3-amino-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-1-piperidinecarboxylic acid IUPAC Name: 3-[3-amino-6-(2-phenylmethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid Traditional Name: 3-[3-amino-6-(2-benzoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]piperidine-1-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)O)C2=CC(=NC3=NNC(=C23)N)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)O)C2=CC(=NC3=NNC(=C23)N)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c26-23-22-19(17-9-6-12-30(14-17)25(31)32)13-20(27-24(22)29-28-23)18-10-4-5-11-21(18)33-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,13,17H,6,9,12,14-15H2,(H,31,32)(H3,26,27,28,29)