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9RV

Summary
Name:N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide
Formula:C22 H23 N5 O2
Formal charge:0
Formula weight:389.45 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide
OpenEye OEToolkits1.7.6N-[[3-[5-oxidanyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]pentanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3(c(c(c2cc1cnccc1n2)cn3)O)c4cc(CNC(CCCC)=O)ccc4
InChIInChI1.03InChI=1S/C22H23N5O2/c1-2-3-7-21(28)24-12-15-5-4-6-17(10-15)27-22(29)18(14-25-27)20-11-16-13-23-9-8-19(16)26-20/h4-6,8-11,13-14,26,29H,2-3,7,12H2,1H3,(H,24,28)
InChIKeyInChI1.03QHVJCCLHYRIBOU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCC(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3
SMILESCACTVS3.385CCCCC(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O
SMILESOpenEye OEToolkits1.7.6CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O

217705

PDB entries from 2024-03-27

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