Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

9WS

Summary
Name:N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:C14 H10 Cl N3 O
Formal charge:0
Formula weight:271.702 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
OpenEye OEToolkits2.0.6~{N}-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cnn2c1cccc2)C(Nc3c(Cl)cccc3)=O
InChIInChI1.03InChI=1S/C14H10ClN3O/c15-11-5-1-2-6-12(11)17-14(19)10-9-16-18-8-4-3-7-13(10)18/h1-9H,(H,17,19)
InChIKeyInChI1.03CPQRFZBWMKEHSA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1NC(=O)c2cnn3ccccc23
SMILESCACTVS3.385Clc1ccccc1NC(=O)c2cnn3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon