1-[(2S)-butan-2-yl]-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 1-[(2S)-butan-2-yl]-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 3-cyclopropyl-1-[(1S)-1-methylpropyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 1-[(2S)-butan-2-yl]-3-cyclopropyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-[(2S)-butan-2-yl]-3-cyclopropyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 3-cyclopropyl-1-[(1S)-1-methylpropyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)O)C(=N1)C4CC4

Isomeric SMILES

CC[C@H](C)N1C2=C(C(=CC(=N2)C3=CC=CC=C3)C(=O)O)C(=N1)C4CC4

InChI

InChI=1S/C20H21N3O2/c1-3-12(2)23-19-17(18(22-23)14-9-10-14)15(20(24)25)11-16(21-19)13-7-5-4-6-8-13/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,24,25)/t12-/m0/s1