About (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
(4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide (PubChem CID 158775197) has the molecular formula C124H120F14N18O28
and a molecular weight of 2576.39 g/mol. Its IUPAC name is (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide?
The IUPAC name of (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide (CID 158775197) is (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide.
What is the SMILES notation for (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide?
The canonical SMILES for (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide is CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(C)c3F)cn2[C@@H]2CCOC[C@H]21.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2COCC[C@H]23)c1F.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2COCC[C@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2COC[C@H]23)c(F)c1.O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N[C@@H]1CCCC[C@H]12.O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N[C@H]1CCCC[C@@H]12.
What is the InChIKey of (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide?
The InChIKey is IQJRJGJTCYIQCC-OXRXFWSXSA-N. The full InChI is InChI=1S/C22H23F2N3O5.2C21H21F2N3O5.2C20H18F3N3O4.C20H19F2N3O5/c1-3-26-16-10-32-7-6-15(16)27-9-13(19(28)20(29)18(27)22(26)31)21(30)25-8-12-4-5-14(23)11(2)17(12)24;1-10-5-13(22)11(14(23)6-10)7-24-20(29)12-8-26-15-3-4-31-9-16(15)25(2)21(30)17(26)19(28)18(12)27;1-10-13(22)4-3-11(16(10)23)7-24-20(29)12-8-26-14-5-6-31-9-15(14)25(2)21(30)17(26)19(28)18(12)27;2*21-9-5-12(22)10(13(23)6-9)7-24-19(29)11-8-26-15-4-2-1-3-14(15)25-20(30)16(26)18(28)17(11)27;1-9-3-12(21)10(13(22)4-9)5-23-19(28)11-6-25-15-8-30-7-14(15)24(2)20(29)16(25)18(27)17(11)26/h4-5,9,15-16,29H,3,6-8,10H2,1-2H3,(H,25,30);5-6,8,15-16,28H,3-4,7,9H2,1-2H3,(H,24,29);3-4,8,14-15,28H,5-7,9H2,1-2H3,(H,24,29);2*5-6,8,14-15,28H,1-4,7H2,(H,24,29)(H,25,30);3-4,6,14-15,27H,5,7-8H2,1-2H3,(H,23,28)/t2*15-,16-;4*14-,15-/m111101/s1.
What are the key properties of (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide?
(4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide has a molecular weight of 2576.39 g/mol, XLogP of 10.20, 19 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,11aR)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(4aS,11aS)-7-hydroxy-6,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,4a,5,11a-hexahydro-1H-pyrido[1,2-a]quinoxaline-9-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-8-ethyl-11-hydroxy-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide;(2S,6S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-10-hydroxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide is sourced from PubChem (CID 158775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).