benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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

C178H228Cl10N82O22S3 — CID 160849269

IUPACbenzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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
SMILESCN1CCC2(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.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)OCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl
InChIInChI=1S/C28H32ClN9O4S.C20H25ClN8O2.C19H24ClN9O2.C19H25ClN8O3S.C19H23ClN8O3.C19H23ClN8O2.C18H23ClN8O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/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;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-24-14(30)10-12-6-2-1-3-7-12;20-14-16(22)28-15(21)13(27-14)17(30)29-18-24-10-12(26-18)7-4-8-23-19(31)25-9-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(29)28-19-23-10-13(25-19)8-4-5-9-24-32(30,31)11-12-6-2-1-3-7-12;20-14-16(22)27-15(21)13(26-14)17(29)28-18-24-9-12(25-18)7-4-8-23-19(30)31-10-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(30)28-19-24-10-12(25-19)7-4-8-23-13(29)9-11-5-2-1-3-6-11;19-14-16(21)26-15(20)13(25-14)17(28)27-18-22-9-12(24-18)7-4-8-23-31(29,30)10-11-5-2-1-3-6-11;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1-3,5-6,12H,4,7-10H2,(H4,21,22,28)(H2,23,25,31)(H2,24,26,29,30);1-3,6-7,13,24H,4-5,8-11H2,(H4,21,22,27)(H2,23,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,30)(H4,21,22,27)(H2,24,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,29)(H4,21,22,27)(H2,24,25,28,30);1-3,5-6,12,23H,4,7-10H2,(H4,20,21,26)(H2,22,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t20-;13-;12-;13-;3*12-;;;5-/m0000000..0/s1
InChIKeySJAUXEPRQJVRMI-QWONYMFZSA-N
MW4319.07 g/mol
LogP2.84
Rot. Bonds59

About benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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

benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 160849269) has the molecular formula C178H228Cl10N82O22S3 and a molecular weight of 4319.07 g/mol. Its IUPAC name is benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 Namebenzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 CID160849269
Molecular FormulaC178H228Cl10N82O22S3
Molecular Weight4319.07 g/mol
Exact Mass4311.53
IUPAC Namebenzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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
SMILESCN1CCC2(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.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)OCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl
InChIInChI=1S/C28H32ClN9O4S.C20H25ClN8O2.C19H24ClN9O2.C19H25ClN8O3S.C19H23ClN8O3.C19H23ClN8O2.C18H23ClN8O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/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;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-24-14(30)10-12-6-2-1-3-7-12;20-14-16(22)28-15(21)13(27-14)17(30)29-18-24-10-12(26-18)7-4-8-23-19(31)25-9-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(29)28-19-23-10-13(25-19)8-4-5-9-24-32(30,31)11-12-6-2-1-3-7-12;20-14-16(22)27-15(21)13(26-14)17(29)28-18-24-9-12(25-18)7-4-8-23-19(30)31-10-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(30)28-19-24-10-12(25-19)7-4-8-23-13(29)9-11-5-2-1-3-6-11;19-14-16(21)26-15(20)13(25-14)17(28)27-18-22-9-12(24-18)7-4-8-23-31(29,30)10-11-5-2-1-3-6-11;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1-3,5-6,12H,4,7-10H2,(H4,21,22,28)(H2,23,25,31)(H2,24,26,29,30);1-3,6-7,13,24H,4-5,8-11H2,(H4,21,22,27)(H2,23,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,30)(H4,21,22,27)(H2,24,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,29)(H4,21,22,27)(H2,24,25,28,30);1-3,5-6,12,23H,4,7-10H2,(H4,20,21,26)(H2,22,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t20-;13-;12-;13-;3*12-;;;5-/m0000000..0/s1
InChIKeySJAUXEPRQJVRMI-QWONYMFZSA-N
XLogP2.84
TPSA1650.87 Ų
H-Bond Donors50
H-Bond Acceptors85
Rotatable Bonds59
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004319.07
LogP ≤ 52.84
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1085

Analyze benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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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What is the IUPAC name of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 160849269) is benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 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.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.Nc1nc(N)c(C(=O)NC2=NCC3(CCNCC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)NCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNC(=O)OCc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCNS(=O)(=O)Cc3ccccc3)N2)nc1Cl.
What is the InChIKey of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 SJAUXEPRQJVRMI-QWONYMFZSA-N. The full InChI is InChI=1S/C28H32ClN9O4S.C20H25ClN8O2.C19H24ClN9O2.C19H25ClN8O3S.C19H23ClN8O3.C19H23ClN8O2.C18H23ClN8O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/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;21-16-18(23)28-17(22)15(27-16)19(31)29-20-25-11-13(26-20)8-4-5-9-24-14(30)10-12-6-2-1-3-7-12;20-14-16(22)28-15(21)13(27-14)17(30)29-18-24-10-12(26-18)7-4-8-23-19(31)25-9-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(29)28-19-23-10-13(25-19)8-4-5-9-24-32(30,31)11-12-6-2-1-3-7-12;20-14-16(22)27-15(21)13(26-14)17(29)28-18-24-9-12(25-18)7-4-8-23-19(30)31-10-11-5-2-1-3-6-11;20-15-17(22)27-16(21)14(26-15)18(30)28-19-24-10-12(25-19)7-4-8-23-13(29)9-11-5-2-1-3-6-11;19-14-16(21)26-15(20)13(25-14)17(28)27-18-22-9-12(24-18)7-4-8-23-31(29,30)10-11-5-2-1-3-6-11;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h2-10,20,37H,11-16H2,1H3,(H4,30,31,34)(H2,32,35,36,39);1-3,6-7,13H,4-5,8-11H2,(H,24,30)(H4,22,23,28)(H2,25,26,29,31);1-3,5-6,12H,4,7-10H2,(H4,21,22,28)(H2,23,25,31)(H2,24,26,29,30);1-3,6-7,13,24H,4-5,8-11H2,(H4,21,22,27)(H2,23,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,30)(H4,21,22,27)(H2,24,25,28,29);1-3,5-6,12H,4,7-10H2,(H,23,29)(H4,21,22,27)(H2,24,25,28,30);1-3,5-6,12,23H,4,7-10H2,(H4,20,21,26)(H2,22,24,27,28);2-6H2,1H3,(H4,15,16,19)(H2,17,20,21,23);16H,1-5H2,(H4,14,15,19)(H2,17,20,21,22);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t20-;13-;12-;13-;3*12-;;;5-/m0000000..0/s1.
What are the key properties of benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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?
benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 4319.07 g/mol, XLogP of 2.84, 59 rotatable bonds, 50 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]propyl]carbamate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylcarbamoylamino)propyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[4-(benzylsulfonylamino)butyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5S)-5-[3-(benzylsulfonylamino)propyl]-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-[4-[(2-phenylacetyl)amino]butyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[(2-phenylacetyl)amino]propyl]-4,5-dihydro-1H-imidazol-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 160849269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).