benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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

C156H202Cl9N67O18S2 — CID 161174089

IUPACbenzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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.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](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](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)OCc3ccccc3)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
InChIInChI=1S/C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/c22-17-19(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)28-20-24-10-13(25-20)8-4-5-9-14(29)31-11-12-6-2-1-3-7-12;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h1,3-4,7-8,14H,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,(H4,22,23,27)(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);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t14-;13-;14-;3*13-;;;5-/m010011..0/s1
InChIKeyUROLHPCEYKGEEL-WRAGEQBMSA-N
MW3686.99 g/mol
LogP7.03
Rot. Bonds56

About benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 161174089) has the molecular formula C156H202Cl9N67O18S2 and a molecular weight of 3686.99 g/mol. Its IUPAC name is benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 CID161174089
Molecular FormulaC156H202Cl9N67O18S2
Molecular Weight3686.99 g/mol
Exact Mass3680.36
IUPAC Namebenzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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.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](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](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)OCc3ccccc3)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
InChIInChI=1S/C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/c22-17-19(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)28-20-24-10-13(25-20)8-4-5-9-14(29)31-11-12-6-2-1-3-7-12;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h1,3-4,7-8,14H,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,(H4,22,23,27)(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);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t14-;13-;14-;3*13-;;;5-/m010011..0/s1
InChIKeyUROLHPCEYKGEEL-WRAGEQBMSA-N
XLogP7.03
TPSA1380.90 Ų
H-Bond Donors39
H-Bond Acceptors75
Rotatable Bonds56
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003686.99
LogP ≤ 57.03
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1075

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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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Frequently Asked Questions

What is the IUPAC name of benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 161174089) is benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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.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](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](CCCCS(=O)(=O)Cc3ccccc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCCC(=O)OCc3ccccc3)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.
What is the InChIKey of benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 UROLHPCEYKGEEL-WRAGEQBMSA-N. The full InChI is InChI=1S/C21H26ClN7O2.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C13H19ClN8O.C12H17ClN8O.C11H17ClN8O/c22-17-19(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)28-20-24-10-13(25-20)8-4-5-9-14(29)31-11-12-6-2-1-3-7-12;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;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h1,3-4,7-8,14H,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,(H4,22,23,27)(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);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t14-;13-;14-;3*13-;;;5-/m010011..0/s1.
What are the key properties of benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 3686.99 g/mol, XLogP of 7.03, 56 rotatable bonds, 39 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[(5S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-4,5-dihydro-1H-imidazol-5-yl]pentanoate;3,5-diamino-N-[(5S)-5-(3-aminopropyl)-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-5-[5-(benzylamino)-5-oxopentyl]-4,5-dihydro-1H-imidazol-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[(5R)-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-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-[(5R)-5-(5-oxo-6-phenylhexyl)-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 161174089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).