3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C206H240Cl9N79O24S2 — CID 158980079

IUPAC3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCn1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(CNS(=O)(=O)c4cccc5ccccc45)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4=Nc5c(N)ncnc5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4C(=O)C(Cc5cccnc5)c5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4CC5CC(=O)c6ccccc6CC5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCn4cncn4)CC3)N2)nc1Cl
InChIInChI=1S/C32H35ClN10O4S.C31H31ClN8O4S.C30H33ClN10O3.C29H36ClN9O3.C24H26Cl2N10O3.C22H27ClN12O2.C20H28ClN9O3.C18H24ClN11O2/c1-41-23(12-13-24(41)48(46,47)43(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22)30(45)42-16-14-32(15-17-42)20-36-31(40-32)39-29(44)25-27(34)38-28(35)26(33)37-25;32-26-28(34)38-27(33)25(37-26)29(41)36-24-12-13-31(39-24)14-16-40(17-15-31)30(42)21-10-8-19(9-11-21)18-35-45(43,44)23-7-3-5-20-4-1-2-6-22(20)23;31-24-26(33)37-25(32)23(36-24)27(43)38-29-35-17-30(39-29)9-13-40(14-10-30)22(42)8-4-12-41-21-7-2-1-6-19(21)20(28(41)44)15-18-5-3-11-34-16-18;30-24-26(32)35-25(31)23(34-24)27(42)36-28-33-16-29(37-28)7-10-39(11-8-29)22(41)6-3-9-38-14-18-12-17-4-1-2-5-20(17)21(40)13-19(18)15-38;25-14-6-4-13(5-7-14)21-30-15(39-35-21)2-1-3-16(37)36-10-8-24(9-11-36)12-29-23(34-24)33-22(38)17-19(27)32-20(28)18(26)31-17;23-16-19(26)32-18(25)15(31-16)20(37)33-21-27-9-22(34-21)4-6-35(7-5-22)13(36)3-1-2-11-8-12-14(30-11)17(24)29-10-28-12;21-15-17(23)26-16(22)14(25-15)18(33)27-19-24-11-20(28-19)5-9-30(10-6-20)13(32)4-3-12(31)29-7-1-2-8-29;19-13-15(21)26-14(20)12(25-13)16(32)27-17-23-8-18(28-17)3-6-29(7-4-18)11(31)2-1-5-30-10-22-9-24-30/h2-13H,14-20H2,1H3,(H4,34,35,38)(H2,36,39,40,44);1-11,35H,12-18H2,(H4,33,34,38)(H,36,39,41);1-3,5-7,11,16,20H,4,8-10,12-15,17H2,(H4,32,33,37)(H2,35,38,39,43);1-2,4-5,18-19H,3,6-16H2,(H4,31,32,35)(H2,33,36,37,42);4-7H,1-3,8-12H2,(H4,27,28,32)(H2,29,33,34,38);10H,1-9H2,(H2,24,28,29)(H4,25,26,32)(H2,27,33,34,37);1-11H2,(H4,22,23,26)(H2,24,27,28,33);9-10H,1-8H2,(H4,20,21,26)(H2,23,27,28,32)
InChIKeyJOWQAROYMBFUMC-UHFFFAOYSA-N
MW4589.93 g/mol
LogP10.76
Rot. Bonds46

About 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158980079) has the molecular formula C206H240Cl9N79O24S2 and a molecular weight of 4589.93 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID158980079
Molecular FormulaC206H240Cl9N79O24S2
Molecular Weight4589.93 g/mol
Exact Mass4582.66
IUPAC Name3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCn1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(CNS(=O)(=O)c4cccc5ccccc45)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4=Nc5c(N)ncnc5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4C(=O)C(Cc5cccnc5)c5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4CC5CC(=O)c6ccccc6CC5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCn4cncn4)CC3)N2)nc1Cl
InChIInChI=1S/C32H35ClN10O4S.C31H31ClN8O4S.C30H33ClN10O3.C29H36ClN9O3.C24H26Cl2N10O3.C22H27ClN12O2.C20H28ClN9O3.C18H24ClN11O2/c1-41-23(12-13-24(41)48(46,47)43(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22)30(45)42-16-14-32(15-17-42)20-36-31(40-32)39-29(44)25-27(34)38-28(35)26(33)37-25;32-26-28(34)38-27(33)25(37-26)29(41)36-24-12-13-31(39-24)14-16-40(17-15-31)30(42)21-10-8-19(9-11-21)18-35-45(43,44)23-7-3-5-20-4-1-2-6-22(20)23;31-24-26(33)37-25(32)23(36-24)27(43)38-29-35-17-30(39-29)9-13-40(14-10-30)22(42)8-4-12-41-21-7-2-1-6-19(21)20(28(41)44)15-18-5-3-11-34-16-18;30-24-26(32)35-25(31)23(34-24)27(42)36-28-33-16-29(37-28)7-10-39(11-8-29)22(41)6-3-9-38-14-18-12-17-4-1-2-5-20(17)21(40)13-19(18)15-38;25-14-6-4-13(5-7-14)21-30-15(39-35-21)2-1-3-16(37)36-10-8-24(9-11-36)12-29-23(34-24)33-22(38)17-19(27)32-20(28)18(26)31-17;23-16-19(26)32-18(25)15(31-16)20(37)33-21-27-9-22(34-21)4-6-35(7-5-22)13(36)3-1-2-11-8-12-14(30-11)17(24)29-10-28-12;21-15-17(23)26-16(22)14(25-15)18(33)27-19-24-11-20(28-19)5-9-30(10-6-20)13(32)4-3-12(31)29-7-1-2-8-29;19-13-15(21)26-14(20)12(25-13)16(32)27-17-23-8-18(28-17)3-6-29(7-4-18)11(31)2-1-5-30-10-22-9-24-30/h2-13H,14-20H2,1H3,(H4,34,35,38)(H2,36,39,40,44);1-11,35H,12-18H2,(H4,33,34,38)(H,36,39,41);1-3,5-7,11,16,20H,4,8-10,12-15,17H2,(H4,32,33,37)(H2,35,38,39,43);1-2,4-5,18-19H,3,6-16H2,(H4,31,32,35)(H2,33,36,37,42);4-7H,1-3,8-12H2,(H4,27,28,32)(H2,29,33,34,38);10H,1-9H2,(H2,24,28,29)(H4,25,26,32)(H2,27,33,34,37);1-11H2,(H4,22,23,26)(H2,24,27,28,33);9-10H,1-8H2,(H4,20,21,26)(H2,23,27,28,32)
InChIKeyJOWQAROYMBFUMC-UHFFFAOYSA-N
XLogP10.76
TPSA1497.02 Ų
H-Bond Donors33
H-Bond Acceptors83
Rotatable Bonds46
Heavy Atoms320
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004589.93
LogP ≤ 510.76
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1083

Analyze 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

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What is the IUPAC name of 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158980079) is 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is Cn1c(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(CNS(=O)(=O)c4cccc5ccccc45)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4=Nc5c(N)ncnc5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4C(=O)C(Cc5cccnc5)c5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCN4CC5CC(=O)c6ccccc6CC5C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCn4cncn4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is JOWQAROYMBFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN10O4S.C31H31ClN8O4S.C30H33ClN10O3.C29H36ClN9O3.C24H26Cl2N10O3.C22H27ClN12O2.C20H28ClN9O3.C18H24ClN11O2/c1-41-23(12-13-24(41)48(46,47)43(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22)30(45)42-16-14-32(15-17-42)20-36-31(40-32)39-29(44)25-27(34)38-28(35)26(33)37-25;32-26-28(34)38-27(33)25(37-26)29(41)36-24-12-13-31(39-24)14-16-40(17-15-31)30(42)21-10-8-19(9-11-21)18-35-45(43,44)23-7-3-5-20-4-1-2-6-22(20)23;31-24-26(33)37-25(32)23(36-24)27(43)38-29-35-17-30(39-29)9-13-40(14-10-30)22(42)8-4-12-41-21-7-2-1-6-19(21)20(28(41)44)15-18-5-3-11-34-16-18;30-24-26(32)35-25(31)23(34-24)27(42)36-28-33-16-29(37-28)7-10-39(11-8-29)22(41)6-3-9-38-14-18-12-17-4-1-2-5-20(17)21(40)13-19(18)15-38;25-14-6-4-13(5-7-14)21-30-15(39-35-21)2-1-3-16(37)36-10-8-24(9-11-36)12-29-23(34-24)33-22(38)17-19(27)32-20(28)18(26)31-17;23-16-19(26)32-18(25)15(31-16)20(37)33-21-27-9-22(34-21)4-6-35(7-5-22)13(36)3-1-2-11-8-12-14(30-11)17(24)29-10-28-12;21-15-17(23)26-16(22)14(25-15)18(33)27-19-24-11-20(28-19)5-9-30(10-6-20)13(32)4-3-12(31)29-7-1-2-8-29;19-13-15(21)26-14(20)12(25-13)16(32)27-17-23-8-18(28-17)3-6-29(7-4-18)11(31)2-1-5-30-10-22-9-24-30/h2-13H,14-20H2,1H3,(H4,34,35,38)(H2,36,39,40,44);1-11,35H,12-18H2,(H4,33,34,38)(H,36,39,41);1-3,5-7,11,16,20H,4,8-10,12-15,17H2,(H4,32,33,37)(H2,35,38,39,43);1-2,4-5,18-19H,3,6-16H2,(H4,31,32,35)(H2,33,36,37,42);4-7H,1-3,8-12H2,(H4,27,28,32)(H2,29,33,34,38);10H,1-9H2,(H2,24,28,29)(H4,25,26,32)(H2,27,33,34,37);1-11H2,(H4,22,23,26)(H2,24,27,28,33);9-10H,1-8H2,(H4,20,21,26)(H2,23,27,28,32).
What are the key properties of 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4589.93 g/mol, XLogP of 10.76, 46 rotatable bonds, 33 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[4-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-6-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-(dibenzylsulfamoyl)-1-methylpyrrole-2-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(naphthalen-1-ylsulfonylamino)methyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(9-oxo-5-azatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-trien-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[2-oxo-3-(pyridin-3-ylmethyl)-3H-indol-1-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158980079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).