4-[[3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]methyl]benzoate

Systemtic Name: 4-[[3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]methyl]benzoate Openeye Name: 4-[[3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-1-oxopropyl]amino]methyl]benzoate IUPAC Name: 4-[[3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]methyl]benzoate Formula: C22H25N4O3- MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C)C(C)C

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C)C(C)C

InChI

InChI=1S/C22H26N4O3/c1-13(2)26-21-19(12-24-26)14(3)18(15(4)25-21)9-10-20(27)23-11-16-5-7-17(8-6-16)22(28)29/h5-8,12-13H,9-11H2,1-4H3,(H,23,27)(H,28,29)/p-1