5-chloranyl-6-(2-chloranyl-4-fluoranyl-phenyl)-7-[[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(2-chloranyl-4-fluoranyl-phenyl)-7-[[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-chloro-6-(2-chloro-4-fluoro-phenyl)-7-[[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 5-chloro-6-(2-chloro-4-fluorophenyl)-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 5-chloro-6-(2-chloro-4-fluorophenyl)-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-chloro-6-(2-chloro-4-fluoro-phenyl)-7-[[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C16H10Cl2F4N4O2 MolecularWeight: 437.175813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)NC1=C(C(=NC2=C(C=NN21)C(=O)O)Cl)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C[C@@H](C(F)(F)F)NC1=C(C(=NC2=C(C=NN21)C(=O)O)Cl)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H10Cl2F4N4O2/c1-6(16(20,21)22)24-14-11(8-3-2-7(19)4-10(8)17)12(18)25-13-9(15(27)28)5-23-26(13)14/h2-6,24H,1H3,(H,27,28)/t6-/m0/s1