R7N

4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide

Created: 2020-09-17
Last modified:  2021-03-24

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count68
Aromatic Bond Count12
2D diagram of R7N
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Chemical Component Summary

Name4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
SynonymsINSTI XZ447
Systematic Name (OpenEye OEToolkits)4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
FormulaC24 H27 F2 N5 O6 S
Molecular Weight551.563
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N
Canonical SMILESCACTVS3.385 NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N
InChIInChI1.03 InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32)
InChIKeyInChI1.03 TUOKQVWMLFSRNN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 117697427