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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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

C173H229Cl9N62O24S2 — CID 157394862

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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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
SMILESCC(C)(CCO)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CC(C)(CCc1ccc(OC[C@@H](O)CO)cc1)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CCCC1N=C(NC(=O)c2nc(Cl)c(N)nc2N)CC1CCCc1ccc(OC[C@H](O)CO)cc1.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.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](CCCCC(=O)OCc3ccccc3)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/2C24H33ClN6O4.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C15H23ClN6O2.C11H17ClN8O/c1-24(2,8-7-14-3-5-17(6-4-14)35-13-16(33)12-32)10-15-9-18(28-11-15)29-23(34)19-21(26)31-22(27)20(25)30-19;1-2-4-18-15(6-3-5-14-7-9-17(10-8-14)35-13-16(33)12-32)11-19(28-18)29-24(34)20-22(26)31-23(27)21(25)30-20;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;1-15(2,3-4-23)6-8-5-9(19-7-8)20-14(24)10-12(17)22-13(18)11(16)21-10;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h3-6,15-16,32-33H,7-13H2,1-2H3,(H4,26,27,31)(H,28,29,34);7-10,15-16,18,32-33H,2-6,11-13H2,1H3,(H4,26,27,31)(H,28,29,34);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);8,23H,3-7H2,1-2H3,(H4,17,18,22)(H,19,20,24);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t15-,16-;15?,16-,18?;13-;14-;3*13-;8-;5-/m010000000/s1
InChIKeyBMLGFKUXNXAEMM-VGHVKGAYSA-N
MW3944.36 g/mol
LogP12.20
Rot. Bonds71

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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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

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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 (PubChem CID 157394862) has the molecular formula C173H229Cl9N62O24S2 and a molecular weight of 3944.36 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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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.

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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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
PubChem CID157394862
Molecular FormulaC173H229Cl9N62O24S2
Molecular Weight3944.36 g/mol
Exact Mass3937.52
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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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
SMILESCC(C)(CCO)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CC(C)(CCc1ccc(OC[C@@H](O)CO)cc1)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CCCC1N=C(NC(=O)c2nc(Cl)c(N)nc2N)CC1CCCc1ccc(OC[C@H](O)CO)cc1.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.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](CCCCC(=O)OCc3ccccc3)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/2C24H33ClN6O4.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C15H23ClN6O2.C11H17ClN8O/c1-24(2,8-7-14-3-5-17(6-4-14)35-13-16(33)12-32)10-15-9-18(28-11-15)29-23(34)19-21(26)31-22(27)20(25)30-19;1-2-4-18-15(6-3-5-14-7-9-17(10-8-14)35-13-16(33)12-32)11-19(28-18)29-24(34)20-22(26)31-23(27)21(25)30-20;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;1-15(2,3-4-23)6-8-5-9(19-7-8)20-14(24)10-12(17)22-13(18)11(16)21-10;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h3-6,15-16,32-33H,7-13H2,1-2H3,(H4,26,27,31)(H,28,29,34);7-10,15-16,18,32-33H,2-6,11-13H2,1H3,(H4,26,27,31)(H,28,29,34);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);8,23H,3-7H2,1-2H3,(H4,17,18,22)(H,19,20,24);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t15-,16-;15?,16-,18?;13-;14-;3*13-;8-;5-/m010000000/s1
InChIKeyBMLGFKUXNXAEMM-VGHVKGAYSA-N
XLogP12.20
TPSA1432.08 Ų
H-Bond Donors40
H-Bond Acceptors76
Rotatable Bonds71
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003944.36
LogP ≤ 512.20
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1076

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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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?
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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 (CID 157394862) 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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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.
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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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?
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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 is CC(C)(CCO)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CC(C)(CCc1ccc(OC[C@@H](O)CO)cc1)C[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)C1.CCCC1N=C(NC(=O)c2nc(Cl)c(N)nc2N)CC1CCCc1ccc(OC[C@H](O)CO)cc1.NCCC[C@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.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](CCCCC(=O)OCc3ccccc3)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 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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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?
The InChIKey is BMLGFKUXNXAEMM-VGHVKGAYSA-N. The full InChI is InChI=1S/2C24H33ClN6O4.C20H25ClN8O2.C20H26ClN7O3S.C20H24ClN7O3.C20H24ClN7O2.C19H24ClN7O3S.C15H23ClN6O2.C11H17ClN8O/c1-24(2,8-7-14-3-5-17(6-4-14)35-13-16(33)12-32)10-15-9-18(28-11-15)29-23(34)19-21(26)31-22(27)20(25)30-19;1-2-4-18-15(6-3-5-14-7-9-17(10-8-14)35-13-16(33)12-32)11-19(28-18)29-24(34)20-22(26)31-23(27)21(25)30-20;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;1-15(2,3-4-23)6-8-5-9(19-7-8)20-14(24)10-12(17)22-13(18)11(16)21-10;12-7-9(15)19-8(14)6(18-7)10(21)20-11-16-4-5(17-11)2-1-3-13/h3-6,15-16,32-33H,7-13H2,1-2H3,(H4,26,27,31)(H,28,29,34);7-10,15-16,18,32-33H,2-6,11-13H2,1H3,(H4,26,27,31)(H,28,29,34);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);8,23H,3-7H2,1-2H3,(H4,17,18,22)(H,19,20,24);5H,1-4,13H2,(H4,14,15,19)(H2,16,17,20,21)/t15-,16-;15?,16-,18?;13-;14-;3*13-;8-;5-/m010000000/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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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?
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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 has a molecular weight of 3944.36 g/mol, XLogP of 12.20, 71 rotatable bonds, 40 hydrogen bond donors, and 76 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-[(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-[(3R)-3-[4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,2-dimethylbutyl]-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[3-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-2-propyl-3,4-dihydro-2H-pyrrol-5-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(3R)-3-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-pyrrol-5-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 is sourced from PubChem (CID 157394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).