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

Systemtic Name: 2-[[2-(3-fluoranyl-2-methoxy-phenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[[5-(1,1-dimethylpropyl)-2-(3-fluoro-2-methoxy-phenyl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid CAS Name: 2-[[2-(3-fluoro-2-methoxyphenyl)-5-(2-methylbutan-2-yl)-3-pyrazolyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(3-fluoro-2-methoxyphenyl)-5-(2-methylbutan-2-yl)pyrazol-3-yl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[[5-tert-amyl-2-(3-fluoro-2-methoxy-phenyl)pyrazol-3-yl]amino]nicotinic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O3/c1-5-21(2,3)16-12-17(24-19-13(20(27)28)8-7-11-23-19)26(25-16)15-10-6-9-14(22)18(15)29-4/h6-12H,5H2,1-4H3,(H,23,24)(H,27,28)