(4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide

C157H149F24N21O32 — CID 159765115

About (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide

(4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide (PubChem CID 159765115) has the molecular formula C157H149F24N21O32 and a molecular weight of 3297.99 g/mol. Its IUPAC name is (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

• Compound Name: (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
• PubChem CID: 159765115
• Molecular Formula: C157H149F24N21O32
• Molecular Weight: 3297.99 g/mol
• Exact Mass: 3296.03
• IUPAC Name: (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
• SMILES: CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(C)cc3F)cn2[C@H]2CCC3(C[C@H]21)OCCO3.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2C[C@@H]3C[C@@H]3[C@H]21.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2[C@H]4C[C@H]4C[C@@H]23)c1F.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2C[C@H]4C[C@H]4[C@@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2CCCC[C@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2COCC[C@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2COCC[C@H]23)c(F)c1
• InChI: InChI=1S/C25H27F2N3O6.C23H22F5N3O4.2C22H20F5N3O5.2C22H21F2N3O4.C21H18F3N3O4/c1-3-29-19-10-25(35-6-7-36-25)5-4-18(19)30-12-15(21(31)22(32)20(30)24(29)34)23(33)28-11-14-16(26)8-13(2)9-17(14)27;1-11-6-14(24)12(15(25)7-11)8-29-21(34)13-9-30-16-4-2-3-5-17(16)31(10-23(26,27)28)22(35)18(30)20(33)19(13)32;2*1-10-4-13(23)11(14(24)5-10)6-28-20(33)12-7-29-15-2-3-35-8-16(15)30(9-22(25,26)27)21(34)17(29)19(32)18(12)31;1-9-3-14(23)12(15(24)4-9)7-25-21(30)13-8-27-17-11-5-10(11)6-16(17)26(2)22(31)18(27)20(29)19(13)28;1-9-14(23)4-3-10(16(9)24)7-25-21(30)13-8-27-15-6-11-5-12(11)17(15)26(2)22(31)18(27)20(29)19(13)28;1-26-16-10-2-8(10)3-15(16)27-7-12(18(28)19(29)17(27)21(26)31)20(30)25-6-11-13(23)4-9(22)5-14(11)24/h8-9,12,18-19,32H,3-7,10-11H2,1-2H3,(H,28,33);6-7,9,16-17,33H,2-5,8,10H2,1H3,(H,29,34);2*4-5,7,15-16,32H,2-3,6,8-9H2,1H3,(H,28,33);3-4,8,10-11,16-17,29H,5-7H2,1-2H3,(H,25,30);3-4,8,11-12,15,17,29H,5-7H2,1-2H3,(H,25,30);4-5,7-8,10,15-16,29H,2-3,6H2,1H3,(H,25,30)/t18-,19+;16-,17-;2*15-,16-;10-,11-,16-,17+;11-,12-,15-,17+;8-,10-,15-,16+/m0111100/s1
• InChIKey: NFJYGSZEFWKVGH-FKOSFDGBSA-N
• XLogP: 16.94
• TPSA: 678.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3297.99
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide?

The IUPAC name of (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide (CID 159765115) is (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide.

What is the SMILES notation for (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide?

The canonical SMILES for (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide is CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(C)cc3F)cn2[C@H]2CCC3(C[C@H]21)OCCO3.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2C[C@@H]3C[C@@H]3[C@H]21.Cc1c(F)ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2[C@H]4C[C@H]4C[C@@H]23)c1F.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)[C@@H]2C[C@H]4C[C@H]4[C@@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2CCCC[C@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2COCC[C@H]23)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N(CC(F)(F)F)[C@@H]2COCC[C@H]23)c(F)c1.

What is the InChIKey of (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide?

The InChIKey is NFJYGSZEFWKVGH-FKOSFDGBSA-N. The full InChI is InChI=1S/C25H27F2N3O6.C23H22F5N3O4.2C22H20F5N3O5.2C22H21F2N3O4.C21H18F3N3O4/c1-3-29-19-10-25(35-6-7-36-25)5-4-18(19)30-12-15(21(31)22(32)20(30)24(29)34)23(33)28-11-14-16(26)8-13(2)9-17(14)27;1-11-6-14(24)12(15(25)7-11)8-29-21(34)13-9-30-16-4-2-3-5-17(16)31(10-23(26,27)28)22(35)18(30)20(33)19(13)32;2*1-10-4-13(23)11(14(24)5-10)6-28-20(33)12-7-29-15-2-3-35-8-16(15)30(9-22(25,26)27)21(34)17(29)19(32)18(12)31;1-9-3-14(23)12(15(24)4-9)7-25-21(30)13-8-27-17-11-5-10(11)6-16(17)26(2)22(31)18(27)20(29)19(13)28;1-9-14(23)4-3-10(16(9)24)7-25-21(30)13-8-27-15-6-11-5-12(11)17(15)26(2)22(31)18(27)20(29)19(13)28;1-26-16-10-2-8(10)3-15(16)27-7-12(18(28)19(29)17(27)21(26)31)20(30)25-6-11-13(23)4-9(22)5-14(11)24/h8-9,12,18-19,32H,3-7,10-11H2,1-2H3,(H,28,33);6-7,9,16-17,33H,2-5,8,10H2,1H3,(H,29,34);2*4-5,7,15-16,32H,2-3,6,8-9H2,1H3,(H,28,33);3-4,8,10-11,16-17,29H,5-7H2,1-2H3,(H,25,30);3-4,8,11-12,15,17,29H,5-7H2,1-2H3,(H,25,30);4-5,7-8,10,15-16,29H,2-3,6H2,1H3,(H,25,30)/t18-,19+;16-,17-;2*15-,16-;10-,11-,16-,17+;11-,12-,15-,17+;8-,10-,15-,16+/m0111100/s1.

What are the key properties of (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide?

(4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 3297.99 g/mol, XLogP of 16.94, 25 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (4'aR,11'aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5'-ethyl-7'-hydroxy-6',8'-dioxospiro[1,3-dioxolane-2,3'-2,4,4a,11a-tetrahydro-1H-pyrido[1,2-a]quinoxaline]-9'-carboxamide;(4aR,11aR)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-6,8-dioxo-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxamide;bis((2R,7S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-9,12-dioxo-8-(2,2,2-trifluoroethyl)-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide);(2S,3R,5R,7R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.03,5]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 159765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).