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

Systemtic Name: ethyl 2-[3-cyclopropyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=N1)C4CC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=N1)C4CC4

InChI

InChI=1S/C18H16F3N3O2S/c1-2-26-14(25)9-24-17-15(16(23-24)10-5-6-10)11(18(19,20)21)8-12(22-17)13-4-3-7-27-13/h3-4,7-8,10H,2,5-6,9H2,1H3