1-cyclopentyl-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1-cyclopentyl-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1-cyclopentyl-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-cyclopentyl-3-cyclopropyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1-cyclopentyl-3-cyclopropyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-cyclopentyl-3-cyclopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C21H20N3O2- MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=CC(=N3)C4=CC=CC=C4)C(=O)[O-])C(=N2)C5CC5

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=CC(=N3)C4=CC=CC=C4)C(=O)[O-])C(=N2)C5CC5

InChI

InChI=1S/C21H21N3O2/c25-21(26)16-12-17(13-6-2-1-3-7-13)22-20-18(16)19(14-10-11-14)23-24(20)15-8-4-5-9-15/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,25,26)/p-1