4-[3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid

Systemtic Name: 4-[3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid Openeye Name: 4-[3-methyl-6-(4-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid CAS Name: 4-[3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]benzoic acid IUPAC Name: 4-[3-methyl-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid Traditional Name: 4-[3-methyl-6-(4-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid Formula: C20H13F3N4O2 MolecularWeight: 398.33803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13F3N4O2/c1-11-17-15(20(21,22)23)10-16(12-6-8-24-9-7-12)25-18(17)27(26-11)14-4-2-13(3-5-14)19(28)29/h2-10H,1H3,(H,28,29)