2-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-5-fluoranyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-5-fluoranyl-pyridine-3-carboxylic acid Openeye Name: 2-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-5-fluoro-pyridine-3-carboxylic acid CAS Name: 2-[[5-tert-butyl-2-(2-methoxy-6-methylphenyl)-3-pyrazolyl]amino]-5-fluoro-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-tert-butyl-2-(2-methoxy-6-methylphenyl)pyrazol-3-yl]amino]-5-fluoropyridine-3-carboxylic acid Traditional Name: 2-[[5-tert-butyl-2-(2-methoxy-6-methyl-phenyl)pyrazol-3-yl]amino]-5-fluoro-nicotinic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC)N2C(=CC(=N2)C(C)(C)C)NC3=NC=C(C=C3C(=O)O)F

Isomeric SMILES

CC1=C(C(=CC=C1)OC)N2C(=CC(=N2)C(C)(C)C)NC3=NC=C(C=C3C(=O)O)F

InChI

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