(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoate CAS Name: 3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanoate Traditional Name: 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C23H25BrN4O3 MolecularWeight: 485.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=C(N=C3C(=C2C)C=NN3C(C)C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=C(N=C3C(=C2C)C=NN3C(C)C)C

InChI

InChI=1S/C23H25BrN4O3/c1-6-30-20-10-16(11-25)9-19(24)22(20)31-21(29)8-7-17-14(4)18-12-26-28(13(2)3)23(18)27-15(17)5/h9-10,12-13H,6-8H2,1-5H3