3-[6-oxidanylidene-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid

Systemtic Name: 3-[6-oxidanylidene-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid Openeye Name: 3-[6-oxo-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid CAS Name: 3-[6-oxo-2-propyl-4-(trifluoromethyl)-7-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[6-oxo-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid Traditional Name: 3-[6-keto-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propionic acid Formula: C13H14F3N3O3 MolecularWeight: 317.26377

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C2C(=CC(=O)N(C2=N1)CCC(=O)O)C(F)(F)F

Isomeric SMILES

CCCN1C=C2C(=CC(=O)N(C2=N1)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3/c1-2-4-18-7-8-9(13(14,15)16)6-10(20)19(12(8)17-18)5-3-11(21)22/h6-7H,2-5H2,1H3,(H,21,22)