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IWN

Summary
Name:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C19 H18 N6 O2
Formal charge:0
Formula weight:362.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits2.0.74-(methoxymethyl)-2-methyl-~{N}-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChIInChI1.03InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)
InChIKeyInChI1.03XEUXRKFQXNOHIM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
SMILESCACTVS3.385COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4

221716

PDB entries from 2024-06-26

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