3-methyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[oxo-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-3-methyl-benzoic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

InChI

InChI=1S/C18H18N4O3/c1-10(2)22-16-13(9-20-22)7-14(8-19-16)17(23)21-15-5-4-12(18(24)25)6-11(15)3/h4-10H,1-3H3,(H,21,23)(H,24,25)