5-chloranyl-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 5-chloranyl-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 5-chloro-6-cyclopropyl-3-methyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 5-chloro-6-cyclopropyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 5-chloro-6-cyclopropyl-3-methyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=NC(=C(C(=C3C(=N2)C)C(=O)O)Cl)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=C(C(=C3C(=N2)C)C(=O)O)Cl)C4CC4

InChI

InChI=1S/C19H18ClN3O2/c1-10-3-5-12(6-4-10)9-23-18-14(11(2)22-23)15(19(24)25)16(20)17(21-18)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,24,25)