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

Systemtic Name: 4-[3-(4-cyano-2-fluoranyl-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-(4-cyano-2-fluoro-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-(4-cyano-2-fluorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(4-cyano-2-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[3-(4-cyano-2-fluoro-phenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN5O3/c1-12-18(15-3-2-13(11-22)10-16(15)21)19-23-7-4-17(26(19)24-12)29-14-5-8-25(9-6-14)20(27)28/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,27,28)