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VXJ

Summary
Name:N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:C19 H16 Cl F N4 O
Formal charge:0
Formula weight:370.808 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
OpenEye OEToolkits2.0.7~{N}-(3-chloranyl-4-fluoranyl-phenyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F
InChIInChI1.03InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24)
InChIKeyInChI1.03KJJIMZOASWDMDJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)N2CCc3n[nH]c(c3C2)c4ccccc4)cc1Cl
SMILESCACTVS3.385Fc1ccc(NC(=O)N2CCc3n[nH]c(c3C2)c4ccccc4)cc1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F

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PDB entries from 2024-08-07

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