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

Systemtic Name: 2-[[5-tert-butyl-2-(5-fluoranyl-2-methyl-phenyl)pyrazol-3-yl]amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)-3-pyrazolyl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methylphenyl)pyrazol-3-yl]amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[[5-tert-butyl-2-(5-fluoro-2-methyl-phenyl)pyrazol-3-yl]amino]-6-methyl-nicotinic acid Formula: C21H23FN4O2 MolecularWeight: 382.431323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)C(C)(C)C)NC3=C(C=CC(=N3)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)C(C)(C)C)NC3=C(C=CC(=N3)C)C(=O)O

InChI

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