N-[4-[4-azanyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C28H30F4N8O2S MolecularWeight: 618.648813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C(=C(C=C6)F)F)F)F)C(=NC=N4)N

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C(=C(C=C6)F)F)F)F)C(=NC=N4)N

InChI

InChI=1S/C28H30F4N8O2S/c1-38-10-6-17(7-11-38)39-12-8-18(9-13-39)40-28-23(27(33)34-15-35-28)26(36-40)16-2-4-21(20(30)14-16)37-43(41,42)22-5-3-19(29)24(31)25(22)32/h2-5,14-15,17-18,37H,6-13H2,1H3,(H2,33,34,35)