5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate

C209H251ClF6N30O29S8 — CID 158942503

About 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate

5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate (PubChem CID 158942503) has the molecular formula C209H251ClF6N30O29S8 and a molecular weight of 4053.46 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate
• PubChem CID: 158942503
• Molecular Formula: C209H251ClF6N30O29S8
• Molecular Weight: 4053.46 g/mol
• Exact Mass: 4049.64
• IUPAC Name: 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate
• SMILES: CCCc1c(CS(=O)(=O)c2ccc3c(c2)CN(Cc2ccc(CC)nc2)CC3)noc1C(C)(C)C.CCCc1cnc(NS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)cn1.CCOC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)noc1C(C)(C)C.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4C)cc3C2)cn1.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4Cl)cc3C2)cn1.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Nc4noc(-c5ccccc5)n4)cc3C2)cn1.CCc1ccc(CN2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4CC)cc3C2)cn1.CNC(=O)c1c(CS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)noc1C(C)(C)C
• InChI: InChI=1S/C28H37N3O3S.C27H31F2N3O5S.C27H31F2N3O4S.C27H35N3O3S.C26H34N4O4S.C25H31ClN4O4S.C25H26N6O4S.C24H26F2N4O2S/c1-6-8-25-26(30-34-27(25)28(3,4)5)19-35(32,33)24-12-10-21-13-14-31(18-22(21)15-24)17-20-9-11-23(7-2)29-16-20;1-6-36-26(33)23-24(27(3,4)5)37-30-25(23)31-38(34,35)22-8-7-17-9-10-32(15-19(17)13-22)16(2)18-11-20(28)14-21(29)12-18;1-16(18-10-20(28)13-21(29)11-18)32-9-8-17-6-7-22(12-19(17)14-32)37(34,35)15-23-24(26(33)30-5)25(36-31-23)27(2,3)4;1-6-22-10-8-19(15-28-22)16-30-13-12-20-9-11-23(14-21(20)17-30)34(31,32)18-25-24(7-2)26(33-29-25)27(3,4)5;1-7-33-24-14-27-22(13-28-24)18(3)30-11-10-19-8-9-21(12-20(19)15-30)35(31,32)16-23-17(2)25(34-29-23)26(4,5)6;1-6-33-22-13-27-20(12-28-22)16(2)30-10-9-17-7-8-19(11-18(17)14-30)35(31,32)15-21-23(26)24(34-29-21)25(3,4)5;1-3-34-23-15-26-22(14-27-23)17(2)31-12-11-18-9-10-21(13-20(18)16-31)36(32,33)30-25-28-24(35-29-25)19-7-5-4-6-8-19;1-3-4-22-13-28-24(14-27-22)29-33(31,32)23-6-5-17-7-8-30(15-19(17)11-23)16(2)18-9-20(25)12-21(26)10-18/h9-12,15-16H,6-8,13-14,17-19H2,1-5H3;7-8,11-14,16H,6,9-10,15H2,1-5H3,(H,30,31);6-7,10-13,16H,8-9,14-15H2,1-5H3,(H,30,33);8-11,14-15H,6-7,12-13,16-18H2,1-5H3;8-9,12-14,18H,7,10-11,15-16H2,1-6H3;7-8,11-13,16H,6,9-10,14-15H2,1-5H3;4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,29,30);5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,28,29)/t;2*16-;;18-;16-;17-;16-/m.11.1111/s1
• InChIKey: JKKSPLDQWGBCMJ-PVIYPDRXSA-N
• XLogP: 38.43
• TPSA: 742.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 55
• Rotatable Bonds: 57
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4053.46
LogP ≤ 5	38.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate?

The IUPAC name of 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate (CID 158942503) is 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate.

What is the SMILES notation for 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate?

The canonical SMILES for 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate is CCCc1c(CS(=O)(=O)c2ccc3c(c2)CN(Cc2ccc(CC)nc2)CC3)noc1C(C)(C)C.CCCc1cnc(NS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)cn1.CCOC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)noc1C(C)(C)C.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4C)cc3C2)cn1.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4Cl)cc3C2)cn1.CCOc1cnc([C@@H](C)N2CCc3ccc(S(=O)(=O)Nc4noc(-c5ccccc5)n4)cc3C2)cn1.CCc1ccc(CN2CCc3ccc(S(=O)(=O)Cc4noc(C(C)(C)C)c4CC)cc3C2)cn1.CNC(=O)c1c(CS(=O)(=O)c2ccc3c(c2)CN([C@H](C)c2cc(F)cc(F)c2)CC3)noc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate?

The InChIKey is JKKSPLDQWGBCMJ-PVIYPDRXSA-N. The full InChI is InChI=1S/C28H37N3O3S.C27H31F2N3O5S.C27H31F2N3O4S.C27H35N3O3S.C26H34N4O4S.C25H31ClN4O4S.C25H26N6O4S.C24H26F2N4O2S/c1-6-8-25-26(30-34-27(25)28(3,4)5)19-35(32,33)24-12-10-21-13-14-31(18-22(21)15-24)17-20-9-11-23(7-2)29-16-20;1-6-36-26(33)23-24(27(3,4)5)37-30-25(23)31-38(34,35)22-8-7-17-9-10-32(15-19(17)13-22)16(2)18-11-20(28)14-21(29)12-18;1-16(18-10-20(28)13-21(29)11-18)32-9-8-17-6-7-22(12-19(17)14-32)37(34,35)15-23-24(26(33)30-5)25(36-31-23)27(2,3)4;1-6-22-10-8-19(15-28-22)16-30-13-12-20-9-11-23(14-21(20)17-30)34(31,32)18-25-24(7-2)26(33-29-25)27(3,4)5;1-7-33-24-14-27-22(13-28-24)18(3)30-11-10-19-8-9-21(12-20(19)15-30)35(31,32)16-23-17(2)25(34-29-23)26(4,5)6;1-6-33-22-13-27-20(12-28-22)16(2)30-10-9-17-7-8-19(11-18(17)14-30)35(31,32)15-21-23(26)24(34-29-21)25(3,4)5;1-3-34-23-15-26-22(14-27-23)17(2)31-12-11-18-9-10-21(13-20(18)16-31)36(32,33)30-25-28-24(35-29-25)19-7-5-4-6-8-19;1-3-4-22-13-28-24(14-27-22)29-33(31,32)23-6-5-17-7-8-30(15-19(17)11-23)16(2)18-9-20(25)12-21(26)10-18/h9-12,15-16H,6-8,13-14,17-19H2,1-5H3;7-8,11-14,16H,6,9-10,15H2,1-5H3,(H,30,31);6-7,10-13,16H,8-9,14-15H2,1-5H3,(H,30,33);8-11,14-15H,6-7,12-13,16-18H2,1-5H3;8-9,12-14,18H,7,10-11,15-16H2,1-6H3;7-8,11-13,16H,6,9-10,14-15H2,1-5H3;4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,29,30);5-6,9-14,16H,3-4,7-8,15H2,1-2H3,(H,28,29)/t;2*16-;;18-;16-;17-;16-/m.11.1111/s1.

What are the key properties of 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate?

5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate has a molecular weight of 4053.46 g/mol, XLogP of 38.43, 57 rotatable bonds, 4 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-chloro-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-N-methyl-1,2-oxazole-4-carboxamide;5-tert-butyl-3-[[2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-methyl-1,2-oxazole;5-tert-butyl-4-ethyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-1,2-oxazole;5-tert-butyl-3-[[2-[(6-ethyl-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylmethyl]-4-propyl-1,2-oxazole;2-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-(5-propylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-N-(5-phenyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;ethyl 5-tert-butyl-3-[[2-[(1R)-1-(3,5-difluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonylamino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 158942503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).