(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone

C206H229Cl10F7N78O27S2 — CID 161311245

IUPAC(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone
SMILESCN1CCN(c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cn2)CC1.COc1ccc(-c2noc(CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN/C(=C\C(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl
InChIInChI=1S/C24H24ClFN8O3.C24H27ClN10O4.C24H28ClN9O3.C24H26ClN9O3.C23H22Cl2N8O2S.C23H30ClN11O2.C22H23ClF3N7O4.C22H26ClN7O4S.C20H23ClF3N9O2/c1-12-17(18(33-37-12)13-2-4-14(26)5-3-13)23(36)34-8-6-24(7-9-34)11-29-16(32-24)10-15(35)19-21(27)31-22(28)20(25)30-19;1-38-14-4-2-13(3-5-14)21-29-15(39-34-21)6-7-16(36)35-10-8-24(9-11-35)12-28-23(33-24)32-22(37)17-19(26)31-20(27)18(25)30-17;25-20-22(27)31-21(26)19(30-20)16(35)12-17-29-13-24(32-17)5-8-33(9-6-24)18(36)11-14-1-3-15(4-2-14)34-10-7-28-23(34)37;25-19-21(27)30-20(26)18(29-19)22(36)31-23-28-13-24(32-23)8-10-34(11-9-24)17(35)7-6-15-12-16(33-37-15)14-4-2-1-3-5-14;24-13-3-1-12(2-4-13)21-29-14(10-36-21)22(35)33-7-5-23(6-8-33)11-28-16(32-23)9-15(34)17-19(26)31-20(27)18(25)30-17;1-33-8-10-34(11-9-33)15-3-2-14(12-27-15)21(37)35-6-4-23(5-7-35)13-28-22(32-23)31-20(36)16-18(25)30-19(26)17(24)29-16;23-18-20(28)31-19(27)17(30-18)14(34)9-15-29-11-21(32-15)5-7-33(8-6-21)16(35)10-36-12-1-3-13(4-2-12)37-22(24,25)26;1-35(33,34)14-4-2-13(3-5-14)10-17(32)30-8-6-22(7-9-30)12-26-16(29-22)11-15(31)18-20(24)28-21(25)19(23)27-18;1-10-6-12(20(22,23)24)31-33(10)8-14(35)32-4-2-19(3-5-32)9-27-13(30-19)7-11(34)15-17(25)29-18(26)16(21)28-15/h2-5,10,29,32H,6-9,11H2,1H3,(H4,27,28,31);2-5H,6-12H2,1H3,(H4,26,27,31)(H2,28,32,33,37);1-4,12,29,32H,5-11,13H2,(H,28,37)(H4,26,27,31);1-5,12H,6-11,13H2,(H4,26,27,30)(H2,28,31,32,36);1-4,9-10,28,32H,5-8,11H2,(H4,26,27,31);2-3,12H,4-11,13H2,1H3,(H4,25,26,30)(H2,28,31,32,36);1-4,9,29,32H,5-8,10-11H2,(H4,27,28,31);2-5,11,26,29H,6-10,12H2,1H3,(H4,24,25,28);6-7,27,30H,2-5,8-9H2,1H3,(H4,25,26,29)/b16-10+;;17-12+;;16-9+;;15-9+;16-11+;13-7+
InChIKeyVIXLNTXUNUEPPN-VGAPJGOUSA-N
MW4781.27 g/mol
LogP11.84
Rot. Bonds42

About (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone

(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone (PubChem CID 161311245) has the molecular formula C206H229Cl10F7N78O27S2 and a molecular weight of 4781.27 g/mol. Its IUPAC name is (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone.

Molecular Properties

Compound Name(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone
PubChem CID161311245
Molecular FormulaC206H229Cl10F7N78O27S2
Molecular Weight4781.27 g/mol
Exact Mass4773.52
IUPAC Name(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone
SMILESCN1CCN(c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cn2)CC1.COc1ccc(-c2noc(CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN/C(=C\C(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl
InChIInChI=1S/C24H24ClFN8O3.C24H27ClN10O4.C24H28ClN9O3.C24H26ClN9O3.C23H22Cl2N8O2S.C23H30ClN11O2.C22H23ClF3N7O4.C22H26ClN7O4S.C20H23ClF3N9O2/c1-12-17(18(33-37-12)13-2-4-14(26)5-3-13)23(36)34-8-6-24(7-9-34)11-29-16(32-24)10-15(35)19-21(27)31-22(28)20(25)30-19;1-38-14-4-2-13(3-5-14)21-29-15(39-34-21)6-7-16(36)35-10-8-24(9-11-35)12-28-23(33-24)32-22(37)17-19(26)31-20(27)18(25)30-17;25-20-22(27)31-21(26)19(30-20)16(35)12-17-29-13-24(32-17)5-8-33(9-6-24)18(36)11-14-1-3-15(4-2-14)34-10-7-28-23(34)37;25-19-21(27)30-20(26)18(29-19)22(36)31-23-28-13-24(32-23)8-10-34(11-9-24)17(35)7-6-15-12-16(33-37-15)14-4-2-1-3-5-14;24-13-3-1-12(2-4-13)21-29-14(10-36-21)22(35)33-7-5-23(6-8-33)11-28-16(32-23)9-15(34)17-19(26)31-20(27)18(25)30-17;1-33-8-10-34(11-9-33)15-3-2-14(12-27-15)21(37)35-6-4-23(5-7-35)13-28-22(32-23)31-20(36)16-18(25)30-19(26)17(24)29-16;23-18-20(28)31-19(27)17(30-18)14(34)9-15-29-11-21(32-15)5-7-33(8-6-21)16(35)10-36-12-1-3-13(4-2-12)37-22(24,25)26;1-35(33,34)14-4-2-13(3-5-14)10-17(32)30-8-6-22(7-9-30)12-26-16(29-22)11-15(31)18-20(24)28-21(25)19(23)27-18;1-10-6-12(20(22,23)24)31-33(10)8-14(35)32-4-2-19(3-5-32)9-27-13(30-19)7-11(34)15-17(25)29-18(26)16(21)28-15/h2-5,10,29,32H,6-9,11H2,1H3,(H4,27,28,31);2-5H,6-12H2,1H3,(H4,26,27,31)(H2,28,32,33,37);1-4,12,29,32H,5-11,13H2,(H,28,37)(H4,26,27,31);1-5,12H,6-11,13H2,(H4,26,27,30)(H2,28,31,32,36);1-4,9-10,28,32H,5-8,11H2,(H4,26,27,31);2-3,12H,4-11,13H2,1H3,(H4,25,26,30)(H2,28,31,32,36);1-4,9,29,32H,5-8,10-11H2,(H4,27,28,31);2-5,11,26,29H,6-10,12H2,1H3,(H4,24,25,28);6-7,27,30H,2-5,8-9H2,1H3,(H4,25,26,29)/b16-10+;;17-12+;;16-9+;;15-9+;16-11+;13-7+
InChIKeyVIXLNTXUNUEPPN-VGAPJGOUSA-N
XLogP11.84
TPSA1525.65 Ų
H-Bond Donors37
H-Bond Acceptors92
Rotatable Bonds42
Heavy Atoms330
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004781.27
LogP ≤ 511.84
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1092

Analyze (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone?
The IUPAC name of (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone (CID 161311245) is (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone.
What is the SMILES notation for (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone?
The canonical SMILES for (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone is CN1CCN(c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cn2)CC1.COc1ccc(-c2noc(CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CN/C(=C\C(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC2(CC1)CN/C(=C\C(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)Cc4ccc(N5CCNC5=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4csc(-c5ccc(Cl)cc5)n4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl.
What is the InChIKey of (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone?
The InChIKey is VIXLNTXUNUEPPN-VGAPJGOUSA-N. The full InChI is InChI=1S/C24H24ClFN8O3.C24H27ClN10O4.C24H28ClN9O3.C24H26ClN9O3.C23H22Cl2N8O2S.C23H30ClN11O2.C22H23ClF3N7O4.C22H26ClN7O4S.C20H23ClF3N9O2/c1-12-17(18(33-37-12)13-2-4-14(26)5-3-13)23(36)34-8-6-24(7-9-34)11-29-16(32-24)10-15(35)19-21(27)31-22(28)20(25)30-19;1-38-14-4-2-13(3-5-14)21-29-15(39-34-21)6-7-16(36)35-10-8-24(9-11-35)12-28-23(33-24)32-22(37)17-19(26)31-20(27)18(25)30-17;25-20-22(27)31-21(26)19(30-20)16(35)12-17-29-13-24(32-17)5-8-33(9-6-24)18(36)11-14-1-3-15(4-2-14)34-10-7-28-23(34)37;25-19-21(27)30-20(26)18(29-19)22(36)31-23-28-13-24(32-23)8-10-34(11-9-24)17(35)7-6-15-12-16(33-37-15)14-4-2-1-3-5-14;24-13-3-1-12(2-4-13)21-29-14(10-36-21)22(35)33-7-5-23(6-8-33)11-28-16(32-23)9-15(34)17-19(26)31-20(27)18(25)30-17;1-33-8-10-34(11-9-33)15-3-2-14(12-27-15)21(37)35-6-4-23(5-7-35)13-28-22(32-23)31-20(36)16-18(25)30-19(26)17(24)29-16;23-18-20(28)31-19(27)17(30-18)14(34)9-15-29-11-21(32-15)5-7-33(8-6-21)16(35)10-36-12-1-3-13(4-2-12)37-22(24,25)26;1-35(33,34)14-4-2-13(3-5-14)10-17(32)30-8-6-22(7-9-30)12-26-16(29-22)11-15(31)18-20(24)28-21(25)19(23)27-18;1-10-6-12(20(22,23)24)31-33(10)8-14(35)32-4-2-19(3-5-32)9-27-13(30-19)7-11(34)15-17(25)29-18(26)16(21)28-15/h2-5,10,29,32H,6-9,11H2,1H3,(H4,27,28,31);2-5H,6-12H2,1H3,(H4,26,27,31)(H2,28,32,33,37);1-4,12,29,32H,5-11,13H2,(H,28,37)(H4,26,27,31);1-5,12H,6-11,13H2,(H4,26,27,30)(H2,28,31,32,36);1-4,9-10,28,32H,5-8,11H2,(H4,26,27,31);2-3,12H,4-11,13H2,1H3,(H4,25,26,30)(H2,28,31,32,36);1-4,9,29,32H,5-8,10-11H2,(H4,27,28,31);2-5,11,26,29H,6-10,12H2,1H3,(H4,24,25,28);6-7,27,30H,2-5,8-9H2,1H3,(H4,25,26,29)/b16-10+;;17-12+;;16-9+;;15-9+;16-11+;13-7+.
What are the key properties of (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone?
(2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone has a molecular weight of 4781.27 g/mol, XLogP of 11.84, 42 rotatable bonds, 37 hydrogen bond donors, and 92 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[8-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]-1-(3,5-diamino-6-chloropyrazin-2-yl)ethanone;3,5-diamino-6-chloro-N-[8-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;(2E)-1-(3,5-diamino-6-chloropyrazin-2-yl)-2-[8-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]decan-2-ylidene]ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[4-[2-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]phenyl]imidazolidin-2-one;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone is sourced from PubChem (CID 161311245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).