4-[3-(2-fluoranyl-4-methylsulfonyl-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[3-(2-fluoranyl-4-methylsulfonyl-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-(2-fluoro-4-methylsulfonyl-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-(2-fluoro-4-methylsulfonylphenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(2-fluoro-4-methylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[3-(2-fluoro-4-mesyl-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Formula: C20H21FN4O5S MolecularWeight: 448.467943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC=NC2=C1C3=C(C=C(C=C3)S(=O)(=O)C)F)OC4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=NN2C(=CC=NC2=C1C3=C(C=C(C=C3)S(=O)(=O)C)F)OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C20H21FN4O5S/c1-12-18(15-4-3-14(11-16(15)21)31(2,28)29)19-22-8-5-17(25(19)23-12)30-13-6-9-24(10-7-13)20(26)27/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,26,27)