3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide

C206H254Cl10N78O27S5 — CID 158127235

IUPAC3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
SMILESCC(C)OCCCCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.CN1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl
InChIInChI=1S/C28H32ClN9O4S.C27H26ClN9O4S.C26H35ClN8O5S.C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O/c1-17-7-9-19(10-8-17)43(41,42)37-20(15-18-5-3-2-4-6-18)26(40)38-13-11-28(12-14-38)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)10-12-36(13-11-27)25(39)18-14-37(19-9-5-4-8-17(18)19)42(40,41)16-6-2-1-3-7-16;1-16(2)40-12-3-4-13-41(38,39)18-7-5-6-17(14-18)24(37)35-10-8-26(9-11-35)15-30-25(34-26)33-23(36)19-21(28)32-22(29)20(27)31-19;22-17-19(24)28-18(23)16(27-17)20(31)29-21-25-12-14(26-21)9-5-2-6-10-15(30)11-13-7-3-1-4-8-13;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-14(30)24-10-12-6-2-1-3-7-12;21-16-18(23)27-17(22)15(26-16)19(29)28-20-24-11-14(25-20)9-5-2-6-10-32(30,31)12-13-7-3-1-4-8-13;21-16-18(23)27-17(22)15(26-16)19(30)28-20-24-11-13(25-20)8-4-5-9-14(29)10-12-6-2-1-3-7-12;20-15-17(22)26-16(21)14(25-15)18(28)27-19-23-10-13(24-19)8-4-5-9-31(29,30)11-12-6-2-1-3-7-12;1-22-4-2-13(3-5-22)6-17-12(21-13)20-11(23)7-9(15)19-10(16)8(14)18-7;13-7-9(15)19-8(14)6(18-7)10(22)20-11-17-5-12(21-11)1-3-16-4-2-12/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-9,14H,10-13,15H2,(H4,29,30,33)(H2,31,34,35,38);5-7,14,16H,3-4,8-13,15H2,1-2H3,(H4,28,29,32)(H2,30,33,34,36);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,23,24,28)(H2,25,26,29,31);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,22,23,27)(H2,24,25,28,29);1-3,6-7,13H,4-5,8-11H2,(H4,22,23,27)(H2,24,25,28,30);1-3,6-7,13H,4-5,8-11H2,(H4,21,22,26)(H2,23,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22)/t20-;;;14-;13-;14-;2*13-;;/m0..00000../s1
InChIKeyFSIISNXFKDKFDN-JDCCHAATSA-N
MW4769.68 g/mol
LogP11.02
Rot. Bonds64

About 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide

3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide (PubChem CID 158127235) has the molecular formula C206H254Cl10N78O27S5 and a molecular weight of 4769.68 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
PubChem CID158127235
Molecular FormulaC206H254Cl10N78O27S5
Molecular Weight4769.68 g/mol
Exact Mass4761.64
IUPAC Name3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide
SMILESCC(C)OCCCCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.CN1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl
InChIInChI=1S/C28H32ClN9O4S.C27H26ClN9O4S.C26H35ClN8O5S.C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O/c1-17-7-9-19(10-8-17)43(41,42)37-20(15-18-5-3-2-4-6-18)26(40)38-13-11-28(12-14-38)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)10-12-36(13-11-27)25(39)18-14-37(19-9-5-4-8-17(18)19)42(40,41)16-6-2-1-3-7-16;1-16(2)40-12-3-4-13-41(38,39)18-7-5-6-17(14-18)24(37)35-10-8-26(9-11-35)15-30-25(34-26)33-23(36)19-21(28)32-22(29)20(27)31-19;22-17-19(24)28-18(23)16(27-17)20(31)29-21-25-12-14(26-21)9-5-2-6-10-15(30)11-13-7-3-1-4-8-13;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-14(30)24-10-12-6-2-1-3-7-12;21-16-18(23)27-17(22)15(26-16)19(29)28-20-24-11-14(25-20)9-5-2-6-10-32(30,31)12-13-7-3-1-4-8-13;21-16-18(23)27-17(22)15(26-16)19(30)28-20-24-11-13(25-20)8-4-5-9-14(29)10-12-6-2-1-3-7-12;20-15-17(22)26-16(21)14(25-15)18(28)27-19-23-10-13(24-19)8-4-5-9-31(29,30)11-12-6-2-1-3-7-12;1-22-4-2-13(3-5-22)6-17-12(21-13)20-11(23)7-9(15)19-10(16)8(14)18-7;13-7-9(15)19-8(14)6(18-7)10(22)20-11-17-5-12(21-11)1-3-16-4-2-12/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-9,14H,10-13,15H2,(H4,29,30,33)(H2,31,34,35,38);5-7,14,16H,3-4,8-13,15H2,1-2H3,(H4,28,29,32)(H2,30,33,34,36);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,23,24,28)(H2,25,26,29,31);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,22,23,27)(H2,24,25,28,29);1-3,6-7,13H,4-5,8-11H2,(H4,22,23,27)(H2,24,25,28,30);1-3,6-7,13H,4-5,8-11H2,(H4,21,22,26)(H2,23,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22)/t20-;;;14-;13-;14-;2*13-;;/m0..00000../s1
InChIKeyFSIISNXFKDKFDN-JDCCHAATSA-N
XLogP11.02
TPSA1649.43 Ų
H-Bond Donors43
H-Bond Acceptors90
Rotatable Bonds64
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004769.68
LogP ≤ 511.02
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1090

Analyze 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide (CID 158127235) is 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(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-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide is CC(C)OCCCCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.CN1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
The InChIKey is FSIISNXFKDKFDN-JDCCHAATSA-N. The full InChI is InChI=1S/C28H32ClN9O4S.C27H26ClN9O4S.C26H35ClN8O5S.C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O/c1-17-7-9-19(10-8-17)43(41,42)37-20(15-18-5-3-2-4-6-18)26(40)38-13-11-28(12-14-38)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)10-12-36(13-11-27)25(39)18-14-37(19-9-5-4-8-17(18)19)42(40,41)16-6-2-1-3-7-16;1-16(2)40-12-3-4-13-41(38,39)18-7-5-6-17(14-18)24(37)35-10-8-26(9-11-35)15-30-25(34-26)33-23(36)19-21(28)32-22(29)20(27)31-19;22-17-19(24)28-18(23)16(27-17)20(31)29-21-25-12-14(26-21)9-5-2-6-10-15(30)11-13-7-3-1-4-8-13;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-14(30)24-10-12-6-2-1-3-7-12;21-16-18(23)27-17(22)15(26-16)19(29)28-20-24-11-14(25-20)9-5-2-6-10-32(30,31)12-13-7-3-1-4-8-13;21-16-18(23)27-17(22)15(26-16)19(30)28-20-24-11-13(25-20)8-4-5-9-14(29)10-12-6-2-1-3-7-12;20-15-17(22)26-16(21)14(25-15)18(28)27-19-23-10-13(24-19)8-4-5-9-31(29,30)11-12-6-2-1-3-7-12;1-22-4-2-13(3-5-22)6-17-12(21-13)20-11(23)7-9(15)19-10(16)8(14)18-7;13-7-9(15)19-8(14)6(18-7)10(22)20-11-17-5-12(21-11)1-3-16-4-2-12/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-9,14H,10-13,15H2,(H4,29,30,33)(H2,31,34,35,38);5-7,14,16H,3-4,8-13,15H2,1-2H3,(H4,28,29,32)(H2,30,33,34,36);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,23,24,28)(H2,25,26,29,31);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1,3-4,7-8,14H,2,5-6,9-12H2,(H4,22,23,27)(H2,24,25,28,29);1-3,6-7,13H,4-5,8-11H2,(H4,22,23,27)(H2,24,25,28,30);1-3,6-7,13H,4-5,8-11H2,(H4,21,22,26)(H2,23,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22)/t20-;;;14-;13-;14-;2*13-;;/m0..00000../s1.
What are the key properties of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide?
3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide has a molecular weight of 4769.68 g/mol, XLogP of 11.02, 64 rotatable bonds, 43 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(4-benzylsulfonylbutyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-(5-benzylsulfonylpentyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(6-oxo-7-phenylheptyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-(5-oxo-6-phenylhexyl)-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 158127235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).