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A1AJJ

Summary
Name:5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
Formula:C20 H16 F N5 O3 S
Formal charge:0
Formula weight:425.436 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
OpenEye OEToolkits2.0.75-[(2-fluorophenyl)sulfamoyl]-2-methyl-~{N}-(1~{H}-pyrazolo[3,4-b]pyridin-5-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccccc1NS(=O)(=O)c1cc(c(C)cc1)C(=O)Nc1cc2cn[NH]c2nc1
InChIInChI1.06InChI=1S/C20H16FN5O3S/c1-12-6-7-15(30(28,29)26-18-5-3-2-4-17(18)21)9-16(12)20(27)24-14-8-13-10-23-25-19(13)22-11-14/h2-11,26H,1H3,(H,24,27)(H,22,23,25)
InChIKeyInChI1.06UAVUILPKGNHMHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1C(=O)Nc2cnc3[nH]ncc3c2)[S](=O)(=O)Nc4ccccc4F
SMILESCACTVS3.385Cc1ccc(cc1C(=O)Nc2cnc3[nH]ncc3c2)[S](=O)(=O)Nc4ccccc4F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)Nc2cc3cn[nH]c3nc2)S(=O)(=O)Nc4ccccc4F
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)Nc2cc3cn[nH]c3nc2)S(=O)(=O)Nc4ccccc4F

221371

PDB entries from 2024-06-19

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