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

Systemtic Name: 2-[3-methyl-6-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate Openeye Name: 2-[6-isopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate CAS Name: 2-[3-methyl-6-propan-2-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]acetate IUPAC Name: 2-[3-methyl-6-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Traditional Name: 2-[6-isopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Formula: C13H13F3N3O2- MolecularWeight: 300.25643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O2/c1-6(2)9-4-8(13(14,15)16)11-7(3)18-19(5-10(20)21)12(11)17-9/h4,6H,5H2,1-3H3,(H,20,21)/p-1