Q4C

~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide

Created:2022-10-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count18
2D diagram of Q4C
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Chemical Component Summary

Name~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
FormulaC25 H22 Cl F3 N4 O3
Molecular Weight518.915
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(cnc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(c(c3)F)F)N4CCOCC4
Canonical SMILESCACTVS3.385 Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1cc(cnc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(c(c3)F)F)N4CCOCC4
InChIInChI1.06 InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35)
InChIKeyInChI1.06 GBAXCPGBQNNUHB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166175737