4-[[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(6-cyclopropyl-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]benzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C20H20N4O3/c1-11-17-15(9-16(13-7-8-13)22-18(17)24(2)23-11)19(25)21-10-12-3-5-14(6-4-12)20(26)27/h3-6,9,13H,7-8,10H2,1-2H3,(H,21,25)(H,26,27)