About 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide
5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 158716299) has the molecular formula C141H132F2N38O24
and a molecular weight of 2789.90 g/mol. Its IUPAC name is 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide (CID 158716299) is 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide is C#Cc1cccc(Cn2cnc(C(=O)N[C@@H]3C(=O)N(C)c4ncccc4O[C@@H]3C)n2)c1.CN1C(=O)[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)COc2cccnc21.CN1C(=O)[C@@H](NC(=O)c2nn(Cc3cnn(C)c3)cc2F)COc2cccnc21.C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1ncc(Cc2ccccc2)o1.[2H]C([2H])([2H])N1C(=O)[C@@H](NC(=O)c2nn(Cc3ccccc3)cc2F)COc2cccnc21.[2H]C([2H])([2H])N1C(=O)[C@@H](NC(=O)c2nnc(C3(c4ccccc4)CC3)o2)COc2cccnc21.[2H]C([2H])([2H])N1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)[C@@H](C)Oc2cccnc21.
What is the InChIKey of 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IJIUBUSNIFZLAG-IVMJYIPESA-N. The full InChI is InChI=1S/C22H20N6O3.C21H19N5O4.C21H20N4O4.C20H18FN5O3.C20H19N5O4.C19H18N6O3.C18H18FN7O3/c1-4-15-7-5-8-16(11-15)12-28-13-24-19(26-28)21(29)25-18-14(2)31-17-9-6-10-23-20(17)27(3)22(18)30;1-26-16-15(8-5-11-22-16)29-12-14(19(26)28)23-17(27)18-24-25-20(30-18)21(9-10-21)13-6-3-2-4-7-13;1-13-17(21(27)25(2)18-16(28-13)9-6-10-22-18)24-19(26)20-23-12-15(29-20)11-14-7-4-3-5-8-14;1-25-18-16(8-5-9-22-18)29-12-15(20(25)28)23-19(27)17-14(21)11-26(24-17)10-13-6-3-2-4-7-13;1-12-16(20(27)25(2)17-14(28-12)9-6-10-21-17)22-18(26)19-24-23-15(29-19)11-13-7-4-3-5-8-13;1-24-17-16(8-5-9-20-17)28-12-15(19(24)27)21-18(26)14-11-25(23-22-14)10-13-6-3-2-4-7-13;1-24-7-11(6-21-24)8-26-9-12(19)15(23-26)17(27)22-13-10-29-14-4-3-5-20-16(14)25(2)18(13)28/h1,5-11,13-14,18H,12H2,2-3H3,(H,25,29);2-8,11,14H,9-10,12H2,1H3,(H,23,27);3-10,12-13,17H,11H2,1-2H3,(H,24,26);2-9,11,15H,10,12H2,1H3,(H,23,27);3-10,12,16H,11H2,1-2H3,(H,22,26);2-9,11,15H,10,12H2,1H3,(H,21,26);3-7,9,13H,8,10H2,1-2H3,(H,22,27)/t14-,18+;14-;13-,17+;15-;12-,16+;15-;13-/m1010100/s1/i;1D3;;1D3;2D3;;.
What are the key properties of 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 2789.90 g/mol, XLogP of 9.59, 31 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3-oxazole-2-carboxamide;1-benzyl-4-fluoro-N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyrazole-3-carboxamide;1-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]triazole-4-carboxamide;5-benzyl-N-[(2R,3S)-2-methyl-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(3-ethynylphenyl)methyl]-1,2,4-triazole-3-carboxamide;4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide;N-[(3S)-4-oxo-5-(trideuteriomethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 158716299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).