3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid

C204H242Cl9N81O30S4 — CID 158185226

IUPAC3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)C(C(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)N1CCS(=O)(=O)CC1.Cc1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c(=O)n(-c2ccccc2)n1C.Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cn(Cc4ccccc4)cn2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCCC(C(=O)O)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncccc4O)CC3)N2)nc1Cl
InChIInChI=1S/C28H29ClN10O4S.C25H30ClN9O6S.C24H27ClN10O3.C24H26ClN9O2.C23H30ClN9O4S.C21H32ClN9O4S.C21H25ClN8O2.C20H23ClN8O2.C18H20ClN9O3/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;26-18-20(28)31-19(27)17(30-18)21(36)32-24-29-13-25(33-24)6-9-34(10-7-25)22(37)14-3-1-5-16(11-14)42(40,41)35-8-2-4-15(12-35)23(38)39;1-13-15(22(38)35(33(13)2)14-6-4-3-5-7-14)21(37)34-10-8-24(9-11-34)12-28-23(32-24)31-20(36)16-18(26)30-19(27)17(25)29-16;25-19-21(27)31-20(26)18(30-19)22(35)29-17-6-7-24(32-17)8-10-34(11-9-24)23(36)16-13-33(14-28-16)12-15-4-2-1-3-5-15;1-14-4-6-15(7-5-14)38(36,37)28-10-2-3-16(34)33-11-8-23(9-12-33)13-27-22(32-23)31-21(35)17-19(25)30-20(26)18(24)29-17;1-12(2)14(30-7-9-36(34,35)10-8-30)19(33)31-5-3-21(4-6-31)11-25-20(29-21)28-18(32)13-16(23)27-17(24)15(22)26-13;22-16-18(24)27-17(23)15(26-16)19(32)28-20-25-12-21(29-20)8-10-30(11-9-21)14(31)7-6-13-4-2-1-3-5-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;19-12-14(21)25-13(20)11(24-12)15(30)26-17-23-8-18(27-17)3-6-28(7-4-18)16(31)10-9(29)2-1-5-22-10/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1,3,5,11,15H,2,4,6-10,12-13H2,(H,38,39)(H4,27,28,31)(H2,29,32,33,36);3-7H,8-12H2,1-2H3,(H4,26,27,30)(H2,28,31,32,36);1-5,13-14H,6-12H2,(H4,26,27,31)(H,29,32,35);4-7,28H,2-3,8-13H2,1H3,(H4,25,26,30)(H2,27,31,32,35);12,14H,3-11H2,1-2H3,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-12H2,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2,5,29H,3-4,6-8H2,(H4,20,21,25)(H2,23,26,27,30)
InChIKeyFZBJEWGPENWPHU-UHFFFAOYSA-N
MW4756.06 g/mol
LogP6.12
Rot. Bonds36

About 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid

3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 158185226) has the molecular formula C204H242Cl9N81O30S4 and a molecular weight of 4756.06 g/mol. Its IUPAC name is 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID158185226
Molecular FormulaC204H242Cl9N81O30S4
Molecular Weight4756.06 g/mol
Exact Mass4748.60
IUPAC Name3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC(C)C(C(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)N1CCS(=O)(=O)CC1.Cc1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c(=O)n(-c2ccccc2)n1C.Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cn(Cc4ccccc4)cn2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCCC(C(=O)O)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncccc4O)CC3)N2)nc1Cl
InChIInChI=1S/C28H29ClN10O4S.C25H30ClN9O6S.C24H27ClN10O3.C24H26ClN9O2.C23H30ClN9O4S.C21H32ClN9O4S.C21H25ClN8O2.C20H23ClN8O2.C18H20ClN9O3/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;26-18-20(28)31-19(27)17(30-18)21(36)32-24-29-13-25(33-24)6-9-34(10-7-25)22(37)14-3-1-5-16(11-14)42(40,41)35-8-2-4-15(12-35)23(38)39;1-13-15(22(38)35(33(13)2)14-6-4-3-5-7-14)21(37)34-10-8-24(9-11-34)12-28-23(32-24)31-20(36)16-18(26)30-19(27)17(25)29-16;25-19-21(27)31-20(26)18(30-19)22(35)29-17-6-7-24(32-17)8-10-34(11-9-24)23(36)16-13-33(14-28-16)12-15-4-2-1-3-5-15;1-14-4-6-15(7-5-14)38(36,37)28-10-2-3-16(34)33-11-8-23(9-12-33)13-27-22(32-23)31-21(35)17-19(25)30-20(26)18(24)29-17;1-12(2)14(30-7-9-36(34,35)10-8-30)19(33)31-5-3-21(4-6-31)11-25-20(29-21)28-18(32)13-16(23)27-17(24)15(22)26-13;22-16-18(24)27-17(23)15(26-16)19(32)28-20-25-12-21(29-20)8-10-30(11-9-21)14(31)7-6-13-4-2-1-3-5-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;19-12-14(21)25-13(20)11(24-12)15(30)26-17-23-8-18(27-17)3-6-28(7-4-18)16(31)10-9(29)2-1-5-22-10/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1,3,5,11,15H,2,4,6-10,12-13H2,(H,38,39)(H4,27,28,31)(H2,29,32,33,36);3-7H,8-12H2,1-2H3,(H4,26,27,30)(H2,28,31,32,36);1-5,13-14H,6-12H2,(H4,26,27,31)(H,29,32,35);4-7,28H,2-3,8-13H2,1H3,(H4,25,26,30)(H2,27,31,32,35);12,14H,3-11H2,1-2H3,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-12H2,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2,5,29H,3-4,6-8H2,(H4,20,21,25)(H2,23,26,27,30)
InChIKeyFZBJEWGPENWPHU-UHFFFAOYSA-N
XLogP6.12
TPSA1639.75 Ų
H-Bond Donors39
H-Bond Acceptors89
Rotatable Bonds36
Heavy Atoms328
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004756.06
LogP ≤ 56.12
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1089

Analyze 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid with MolForge

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What is the IUPAC name of 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid (CID 158185226) is 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid is CC(C)C(C(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2)N1CCS(=O)(=O)CC1.Cc1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c(=O)n(-c2ccccc2)n1C.Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cn(Cc4ccccc4)cn2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCCC(C(=O)O)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncccc4O)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is FZBJEWGPENWPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN10O4S.C25H30ClN9O6S.C24H27ClN10O3.C24H26ClN9O2.C23H30ClN9O4S.C21H32ClN9O4S.C21H25ClN8O2.C20H23ClN8O2.C18H20ClN9O3/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;26-18-20(28)31-19(27)17(30-18)21(36)32-24-29-13-25(33-24)6-9-34(10-7-25)22(37)14-3-1-5-16(11-14)42(40,41)35-8-2-4-15(12-35)23(38)39;1-13-15(22(38)35(33(13)2)14-6-4-3-5-7-14)21(37)34-10-8-24(9-11-34)12-28-23(32-24)31-20(36)16-18(26)30-19(27)17(25)29-16;25-19-21(27)31-20(26)18(30-19)22(35)29-17-6-7-24(32-17)8-10-34(11-9-24)23(36)16-13-33(14-28-16)12-15-4-2-1-3-5-15;1-14-4-6-15(7-5-14)38(36,37)28-10-2-3-16(34)33-11-8-23(9-12-33)13-27-22(32-23)31-21(35)17-19(25)30-20(26)18(24)29-17;1-12(2)14(30-7-9-36(34,35)10-8-30)19(33)31-5-3-21(4-6-31)11-25-20(29-21)28-18(32)13-16(23)27-17(24)15(22)26-13;22-16-18(24)27-17(23)15(26-16)19(32)28-20-25-12-21(29-20)8-10-30(11-9-21)14(31)7-6-13-4-2-1-3-5-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;19-12-14(21)25-13(20)11(24-12)15(30)26-17-23-8-18(27-17)3-6-28(7-4-18)16(31)10-9(29)2-1-5-22-10/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1,3,5,11,15H,2,4,6-10,12-13H2,(H,38,39)(H4,27,28,31)(H2,29,32,33,36);3-7H,8-12H2,1-2H3,(H4,26,27,30)(H2,28,31,32,36);1-5,13-14H,6-12H2,(H4,26,27,31)(H,29,32,35);4-7,28H,2-3,8-13H2,1H3,(H4,25,26,30)(H2,27,31,32,35);12,14H,3-11H2,1-2H3,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-12H2,(H4,23,24,27)(H2,25,28,29,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2,5,29H,3-4,6-8H2,(H4,20,21,25)(H2,23,26,27,30).
What are the key properties of 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid?
3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 4756.06 g/mol, XLogP of 6.12, 36 rotatable bonds, 39 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-(1-benzylimidazole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4-methylphenyl)sulfonylamino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[1-(4-methylphenyl)sulfonylindol-5-yl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;1-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 158185226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).