6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 6-(3,4-dimethoxyphenyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 6-(3,4-dimethoxyphenyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)O)OC

InChI

InChI=1S/C21H18N4O4/c1-28-18-4-3-14(9-19(18)29-2)17-10-15(21(26)27)16-11-23-25(20(16)24-17)12-13-5-7-22-8-6-13/h3-11H,12H2,1-2H3,(H,26,27)