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

9TI

Summary
Name:2-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine
Formula:C11 H10 N4
Formal charge:0
Formula weight:198.224 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-methyl-3-(1~{H}-pyrazol-5-yl)imidazo[1,2-a]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C11H10N4/c1-8-11(9-5-6-12-14-9)15-7-3-2-4-10(15)13-8/h2-7H,1H3,(H,12,14)
InChIKeyInChI1.06HPJHIZQUPBRFBY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc2ccccn2c1c3[nH]ncc3
SMILESCACTVS3.385Cc1nc2ccccn2c1c3[nH]ncc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(n2ccccc2n1)c3ccn[nH]3
SMILESOpenEye OEToolkits2.0.7Cc1c(n2ccccc2n1)c3ccn[nH]3

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon