4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate

Systemtic Name: 4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Openeye Name: 4-[3-methyl-6-(3-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate CAS Name: 4-[3-methyl-6-(3-pyridinyl)-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]benzoate IUPAC Name: 4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Traditional Name: 4-[3-methyl-6-(3-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Formula: C20H12F3N4O2- MolecularWeight: 397.33009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H13F3N4O2/c1-11-17-15(20(21,22)23)9-16(13-3-2-8-24-10-13)25-18(17)27(26-11)14-6-4-12(5-7-14)19(28)29/h2-10H,1H3,(H,28,29)/p-1