2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate

Systemtic Name: 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate Openeye Name: 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate CAS Name: 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]acetate IUPAC Name: 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Traditional Name: 2-[3-cyclopropyl-6-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Formula: C18H13F3N3O2- MolecularWeight: 360.30993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C18H14F3N3O2/c19-18(20,21)12-8-13(10-4-2-1-3-5-10)22-17-15(12)16(11-6-7-11)23-24(17)9-14(25)26/h1-5,8,11H,6-7,9H2,(H,25,26)/p-1