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

Systemtic Name: 4-[3-(4-cyano-2-fluoranyl-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[3-(4-cyano-2-fluoro-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[3-(4-cyano-2-fluorophenyl)-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-(4-cyano-2-fluorophenyl)-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[3-(4-cyano-2-fluoro-phenyl)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylic acid Formula: C19H17FN6O3 MolecularWeight: 396.375083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=N1)C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CN1C(=C2C(=N1)C(=NC=N2)OC3CCN(CC3)C(=O)O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C19H17FN6O3/c1-25-17(13-3-2-11(9-21)8-14(13)20)15-16(24-25)18(23-10-22-15)29-12-4-6-26(7-5-12)19(27)28/h2-3,8,10,12H,4-7H2,1H3,(H,27,28)