N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-isopropyl-6-methyl-N-[2-(piperonylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N5O4/c1-15(2)31-24-20(13-28-31)19(10-16(3)29-24)26(33)30-21-7-5-4-6-18(21)25(32)27-12-17-8-9-22-23(11-17)35-14-34-22/h4-11,13,15H,12,14H2,1-3H3,(H,27,32)(H,30,33)