2-[[2-(5-fluoranyl-2-methyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-(5-fluoranyl-2-methyl-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[[5-(1,1-dimethylpropyl)-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid CAS Name: 2-[[2-(5-fluoro-2-methylphenyl)-5-(2-methylbutan-2-yl)-3-pyrazolyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(5-fluoro-2-methylphenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[[5-tert-amyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]nicotinic acid Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN(C(=C1)NC2=C(C=CC=N2)C(=O)O)C3=C(C=CC(=C3)F)C

Isomeric SMILES

CCC(C)(C)C1=NN(C(=C1)NC2=C(C=CC=N2)C(=O)O)C3=C(C=CC(=C3)F)C

InChI

InChI=1S/C21H23FN4O2/c1-5-21(3,4)17-12-18(24-19-15(20(27)28)7-6-10-23-19)26(25-17)16-11-14(22)9-8-13(16)2/h6-12H,5H2,1-4H3,(H,23,24)(H,27,28)