6-(1,3-benzodioxol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 6-(1,3-benzodioxol-5-yl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C20H13N4O4- MolecularWeight: 373.34162

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=NN4CC5=CC=NC=C5)C(=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=NN4CC5=CC=NC=C5)C(=C3)C(=O)[O-]

InChI

InChI=1S/C20H14N4O4/c25-20(26)14-8-16(13-1-2-17-18(7-13)28-11-27-17)23-19-15(14)9-22-24(19)10-12-3-5-21-6-4-12/h1-9H,10-11H2,(H,25,26)/p-1