N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)propanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propanamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)propanamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)propionamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C)C(C)C

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C)C(C)C

InChI

InChI=1S/C21H25ClN4O3S/c1-12(2)26-21-17(11-23-26)13(3)16(14(4)24-21)7-9-20(27)25-19-10-15(30(5,28)29)6-8-18(19)22/h6,8,10-12H,7,9H2,1-5H3,(H,25,27)