QYV

4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Created:2020-01-15
Last modified:  2020-05-06

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count59
Aromatic Bond Count17
2D diagram of QYV
Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)4-[2-[2,4-bis(fluoranyl)phenoxy]-5-methylsulfonyl-phenyl]-~{N}-ethyl-6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridine-2-carboxamide
FormulaC24 H21 F2 N3 O5 S
Molecular Weight501.502
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(cc1S(C)(=O)=O)C3=CN(C)C(c2c3cc(C(=O)NCC)n2)=O)Oc4c(cc(cc4)F)F
SMILESCACTVS3.385CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c3cc(ccc3Oc4ccc(F)cc4F)[S](C)(=O)=O)c2c1
SMILESOpenEye OEToolkits2.0.7CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C
Canonical SMILESCACTVS3.385 CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c3cc(ccc3Oc4ccc(F)cc4F)[S](C)(=O)=O)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C
InChIInChI1.03 InChI=1S/C24H21F2N3O5S/c1-4-27-23(30)19-11-16-17(12-29(2)24(31)22(16)28-19)15-10-14(35(3,32)33)6-8-20(15)34-21-7-5-13(25)9-18(21)26/h5-12,28H,4H2,1-3H3,(H,27,30)
InChIKeyInChI1.03 GLPRVXBSUHOVMP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3915707
PubChem 89657560
ChEMBL CHEMBL3915707