2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[[5-(2,2-dimethylpropyl)-2-(o-tolyl)pyrazol-3-yl]amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)-3-pyrazolyl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-(2,2-dimethylpropyl)-2-(2-methylphenyl)pyrazol-3-yl]amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 6-methyl-2-[[5-neopentyl-2-(o-tolyl)pyrazol-3-yl]amino]nicotinic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)NC2=CC(=NN2C3=CC=CC=C3C)CC(C)(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)NC2=CC(=NN2C3=CC=CC=C3C)CC(C)(C)C

InChI

InChI=1S/C22H26N4O2/c1-14-8-6-7-9-18(14)26-19(12-16(25-26)13-22(3,4)5)24-20-17(21(27)28)11-10-15(2)23-20/h6-12H,13H2,1-5H3,(H,23,24)(H,27,28)