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

Systemtic Name: 2-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-isopropylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]terephthalic acid Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N4O5/c1-9(2)22-15-11(8-20-22)5-12(7-19-15)16(23)21-14-6-10(17(24)25)3-4-13(14)18(26)27/h3-9H,1-2H3,(H,21,23)(H,24,25)(H,26,27)