4VD

N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

Created: 2015-06-05
Last modified:  2015-08-12

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count22
2D diagram of 4VD
Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methyl-phenyl]imidazo[1,2-a]pyridine-3-carboxamide
FormulaC23 H20 F N5 O2
Molecular Weight417.436
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc2ccc(CNC(=O)Nc1cccc(c1)F)cc2NC(=O)c4n3c(cccc3)nc4
SMILESCACTVS3.385Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c3cnc4ccccn34
SMILESOpenEye OEToolkits1.9.2Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F
Canonical SMILESCACTVS3.385 Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c3cnc4ccccn34
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F
InChIInChI1.03 InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)
InChIKeyInChI1.03 ZPVUIOVIUFJGHO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3608786
PubChem 86764579
ChEMBL CHEMBL3608786