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

Systemtic Name: 4-[1-(4-cyano-2-fluoranyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-(4-cyano-2-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-(4-cyano-2-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(4-cyano-2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-cyano-2-fluoro-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C18H15FN6O3 MolecularWeight: 382.348503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C#N)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C#N)F)C(=O)O

InChI

InChI=1S/C18H15FN6O3/c19-14-7-11(8-20)1-2-15(14)25-16-13(9-23-25)17(22-10-21-16)28-12-3-5-24(6-4-12)18(26)27/h1-2,7,9-10,12H,3-6H2,(H,26,27)