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RJS

Summary
Name:(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:C15 H11 Br F N3 O3 S
Formal charge:0
Formula weight:412.234 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-[(4-bromanyl-3-fluoranyl-phenyl)methylsulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12
InChIInChI1.06InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21)
InChIKeyInChI1.06LSGXMSZZZZALLZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br
SMILESCACTVS3.385Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br
SMILESOpenEye OEToolkits2.0.7c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br

222415

数据于2024-07-10公开中

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