3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine chloride

Systemtic Name: 3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine chloride Openeye Name: 3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine chloride CAS Name: 3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)-2-pyrimidinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine chloride IUPAC Name: 3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine chloride Traditional Name: 3-[5-(2,2-dimethyl-5-aza-2-azoniabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-yl]-1-(2-fluorobenzyl)pyrazolo[3,4-b]pyridine chloride Formula: C24H25ClFN7 MolecularWeight: 465.953603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CC1CN2C3=CN=C(N=C3)C4=NN(C5=C4C=CC=N5)CC6=CC=CC=C6F)C.[Cl-]

Isomeric SMILES

C[N+]1(CC2CC1CN2C3=CN=C(N=C3)C4=NN(C5=C4C=CC=N5)CC6=CC=CC=C6F)C.[Cl-]

InChI

InChI=1S/C24H25FN7.ClH/c1-32(2)15-17-10-19(32)14-30(17)18-11-27-23(28-12-18)22-20-7-5-9-26-24(20)31(29-22)13-16-6-3-4-8-21(16)25;/h3-9,11-12,17,19H,10,13-15H2,1-2H3;1H/q+1;/p-1