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

Systemtic Name: 2-[3-cyclopropyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate Openeye Name: 2-[3-cyclopropyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate CAS Name: 2-[3-cyclopropyl-6-thiophen-2-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]acetate IUPAC Name: 2-[3-cyclopropyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Traditional Name: 2-[3-cyclopropyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Formula: C16H11F3N3O2S- MolecularWeight: 366.33765

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CS4)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=CS4)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C16H12F3N3O2S/c17-16(18,19)9-6-10(11-2-1-5-25-11)20-15-13(9)14(8-3-4-8)21-22(15)7-12(23)24/h1-2,5-6,8H,3-4,7H2,(H,23,24)/p-1