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

CQ0

Summary
Name:3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
Formula:C21 H24 N4 O
Formal charge:0
Formula weight:348.441 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
OpenEye OEToolkits1.7.23-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CC1)c4cc(c3ccn2c(nnc2C(C)(C)C)c3)c(cc4)C
SMILES_CANONICALCACTVS3.370Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4
SMILESCACTVS3.370Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4
SMILESOpenEye OEToolkits1.7.2Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4
InChIInChI1.03InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26)
InChIKeyInChI1.03QOUXRSOLEJEKEB-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon