3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate

C164H231Cl7N60O25 — CID 157399725

IUPAC3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate
SMILESCC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(C(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCC2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCCN2CCCCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C25H35ClN8O6.C25H35ClN8O4.C24H36ClN9O3.C24H33ClN8O4.C23H34ClN9O3.C22H30ClN9O3.C21H28ClN9O2/c1-25(2,3)40-24(37)31-12-13-38-17(35)14-39-16-9-7-15(8-10-16)6-4-5-11-30-23(29)34-22(36)18-20(27)33-21(28)19(26)32-18;26-21-23(28)32-22(27)20(31-21)24(36)33-25(29)30-11-3-2-6-17-7-9-18(10-8-17)38-16-19(35)37-15-14-34-12-4-1-5-13-34;1-34(2)14-6-5-12-29-18(35)15-37-17-10-8-16(9-11-17)7-3-4-13-30-24(28)33-23(36)19-21(26)32-22(27)20(25)31-19;25-20-22(27)32-21(26)19(31-20)23(35)33-24(28)30-10-2-1-3-15-4-6-17(7-5-15)36-14-18(34)37-13-16-8-11-29-12-9-16;1-33(2)13-5-12-28-17(34)14-36-16-9-7-15(8-10-16)6-3-4-11-29-23(27)32-22(35)18-20(25)31-21(26)19(24)30-18;23-18-20(25)30-19(24)17(29-18)21(34)31-22(26)28-8-2-1-3-14-4-6-15(7-5-14)35-13-16(33)32-11-9-27-10-12-32;22-16-18(24)29-17(23)15(28-16)19(32)30-21(25)27-8-2-1-3-13-4-6-14(7-5-13)20(33)31-11-9-26-10-12-31/h7-10H,4-6,11-14H2,1-3H3,(H,31,37)(H4,27,28,33)(H3,29,30,34,36);7-10H,1-6,11-16H2,(H4,27,28,32)(H3,29,30,33,36);8-11H,3-7,12-15H2,1-2H3,(H,29,35)(H4,26,27,32)(H3,28,30,33,36);4-7,16,29H,1-3,8-14H2,(H4,26,27,32)(H3,28,30,33,35);7-10H,3-6,11-14H2,1-2H3,(H,28,34)(H4,25,26,31)(H3,27,29,32,35);4-7,27H,1-3,8-13H2,(H4,24,25,30)(H3,26,28,31,34);4-7,26H,1-3,8-12H2,(H4,23,24,29)(H3,25,27,30,32)
InChIKeyBMZSTJJHWYCVIZ-UHFFFAOYSA-N
MW3691.22 g/mol
LogP7.45
Rot. Bonds78

About 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate

3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate (PubChem CID 157399725) has the molecular formula C164H231Cl7N60O25 and a molecular weight of 3691.22 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate
PubChem CID157399725
Molecular FormulaC164H231Cl7N60O25
Molecular Weight3691.22 g/mol
Exact Mass3685.65
IUPAC Name3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate
SMILESCC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(C(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCC2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCCN2CCCCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C25H35ClN8O6.C25H35ClN8O4.C24H36ClN9O3.C24H33ClN8O4.C23H34ClN9O3.C22H30ClN9O3.C21H28ClN9O2/c1-25(2,3)40-24(37)31-12-13-38-17(35)14-39-16-9-7-15(8-10-16)6-4-5-11-30-23(29)34-22(36)18-20(27)33-21(28)19(26)32-18;26-21-23(28)32-22(27)20(31-21)24(36)33-25(29)30-11-3-2-6-17-7-9-18(10-8-17)38-16-19(35)37-15-14-34-12-4-1-5-13-34;1-34(2)14-6-5-12-29-18(35)15-37-17-10-8-16(9-11-17)7-3-4-13-30-24(28)33-23(36)19-21(26)32-22(27)20(25)31-19;25-20-22(27)32-21(26)19(31-20)23(35)33-24(28)30-10-2-1-3-15-4-6-17(7-5-15)36-14-18(34)37-13-16-8-11-29-12-9-16;1-33(2)13-5-12-28-17(34)14-36-16-9-7-15(8-10-16)6-3-4-11-29-23(27)32-22(35)18-20(25)31-21(26)19(24)30-18;23-18-20(25)30-19(24)17(29-18)21(34)31-22(26)28-8-2-1-3-14-4-6-15(7-5-14)35-13-16(33)32-11-9-27-10-12-32;22-16-18(24)29-17(23)15(28-16)19(32)30-21(25)27-8-2-1-3-13-4-6-14(7-5-13)20(33)31-11-9-26-10-12-31/h7-10H,4-6,11-14H2,1-3H3,(H,31,37)(H4,27,28,33)(H3,29,30,34,36);7-10H,1-6,11-16H2,(H4,27,28,32)(H3,29,30,33,36);8-11H,3-7,12-15H2,1-2H3,(H,29,35)(H4,26,27,32)(H3,28,30,33,36);4-7,16,29H,1-3,8-14H2,(H4,26,27,32)(H3,28,30,33,35);7-10H,3-6,11-14H2,1-2H3,(H,28,34)(H4,25,26,31)(H3,27,29,32,35);4-7,27H,1-3,8-13H2,(H4,24,25,30)(H3,26,28,31,34);4-7,26H,1-3,8-12H2,(H4,23,24,29)(H3,25,27,30,32)
InChIKeyBMZSTJJHWYCVIZ-UHFFFAOYSA-N
XLogP7.45
TPSA1334.34 Ų
H-Bond Donors34
H-Bond Acceptors66
Rotatable Bonds78
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003691.22
LogP ≤ 57.45
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate with MolForge

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Related Compounds

3,5-diamino-N-[N'-[4-[4-[2-[bis[3-[[(2S)-2-amino-6-[[amino(benzamido)methylidene]amino]hexanoyl]amino]propyl]amino]ethoxy]phenyl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 90024984
2,6-Bis[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxycarbonylamino]heptanedioic acid
CID 117809839
tert-butyl N-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N'-[4-[4-[2-[2-[4-[2-[2-[4-[4-[[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]methylidene]amino]butyl]phenoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]carbamate
CID 117809918
Methyl 2-[[4-[3-[3-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1-[3-(4-methoxyphenyl)propyl]piperidin-1-ium-1-yl]propyl]benzoyl]amino]acetate chloride
CID 117856317
morpholin-3-ylmethyl 2-[4-[3-[(3S)-3-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1-[3-[4-[2-(morpholin-3-ylmethoxy)-2-oxoethoxy]phenyl]propyl]piperidin-1-ium-1-yl]propyl]phenoxy]acetate
CID 117866100
tert-butyl N-[(2S)-6-[[amino(benzamido)methylidene]amino]-1-[3-[3-[[(2S)-6-[[amino(benzamido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propyl-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethyl]amino]propylamino]-1-oxohexan-2-yl]carbamate
CID 117956512
tert-butyl N-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N'-[4-[4-[2-[2-[2-[2-[2-[2-[4-[4-[[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxy]ethylcarbamoylamino]ethoxy]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]carbamate
CID 121382634
Dimethyl 2,6-bis[2-[2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]ethoxy]ethoxycarbonylamino]heptanedioate
CID 121385482
tert-butyl N-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N'-[4-[4-[2-[2-[4-[2-[2-[4-[4-[[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]butyl]phenoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]phenyl]butyl]carbamimidoyl]carbamate
CID 121385781
Dimethyl 2-[2-[2-[4-[4-[1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]prop-2-enylamino]butyl]phenoxy]ethoxy]ethoxycarbonylamino]-6-[2-[2-[4-[4-[1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propylideneamino]butyl]phenoxy]ethoxy]ethoxycarbonylamino]heptanedioate
CID 123411626
Morpholin-3-ylmethyl 2-[4-[3-[3-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1-[3-[4-[2-(morpholin-3-ylmethoxy)-2-oxoethoxy]phenyl]propyl]piperidin-1-ium-1-yl]propyl]phenoxy]acetate
CID 123416426
(2-Morpholin-4-yl-2-oxoethyl) 2-[4-[3-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]-4-methylpiperidin-1-yl]-3-oxopropyl]phenoxy]acetate
CID 129152606

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate?
The IUPAC name of 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate (CID 157399725) is 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate?
The canonical SMILES for 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate is CC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.CN(C)CCCNC(=O)COc1ccc(CCCC/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)cc1.N/C(=N\CCCCc1ccc(C(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)N2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCC2CCNCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.N/C(=N\CCCCc1ccc(OCC(=O)OCCN2CCCCC2)cc1)NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate?
The InChIKey is BMZSTJJHWYCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN8O6.C25H35ClN8O4.C24H36ClN9O3.C24H33ClN8O4.C23H34ClN9O3.C22H30ClN9O3.C21H28ClN9O2/c1-25(2,3)40-24(37)31-12-13-38-17(35)14-39-16-9-7-15(8-10-16)6-4-5-11-30-23(29)34-22(36)18-20(27)33-21(28)19(26)32-18;26-21-23(28)32-22(27)20(31-21)24(36)33-25(29)30-11-3-2-6-17-7-9-18(10-8-17)38-16-19(35)37-15-14-34-12-4-1-5-13-34;1-34(2)14-6-5-12-29-18(35)15-37-17-10-8-16(9-11-17)7-3-4-13-30-24(28)33-23(36)19-21(26)32-22(27)20(25)31-19;25-20-22(27)32-21(26)19(31-20)23(35)33-24(28)30-10-2-1-3-15-4-6-17(7-5-15)36-14-18(34)37-13-16-8-11-29-12-9-16;1-33(2)13-5-12-28-17(34)14-36-16-9-7-15(8-10-16)6-3-4-11-29-23(27)32-22(35)18-20(25)31-21(26)19(24)30-18;23-18-20(25)30-19(24)17(29-18)21(34)31-22(26)28-8-2-1-3-14-4-6-15(7-5-14)35-13-16(33)32-11-9-27-10-12-32;22-16-18(24)29-17(23)15(28-16)19(32)30-21(25)27-8-2-1-3-13-4-6-14(7-5-13)20(33)31-11-9-26-10-12-31/h7-10H,4-6,11-14H2,1-3H3,(H,31,37)(H4,27,28,33)(H3,29,30,34,36);7-10H,1-6,11-16H2,(H4,27,28,32)(H3,29,30,33,36);8-11H,3-7,12-15H2,1-2H3,(H,29,35)(H4,26,27,32)(H3,28,30,33,36);4-7,16,29H,1-3,8-14H2,(H4,26,27,32)(H3,28,30,33,35);7-10H,3-6,11-14H2,1-2H3,(H,28,34)(H4,25,26,31)(H3,27,29,32,35);4-7,27H,1-3,8-13H2,(H4,24,25,30)(H3,26,28,31,34);4-7,26H,1-3,8-12H2,(H4,23,24,29)(H3,25,27,30,32).
What are the key properties of 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate?
3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate has a molecular weight of 3691.22 g/mol, XLogP of 7.45, 78 rotatable bonds, 34 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[4-(dimethylamino)butylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[N'-[4-[4-(piperazine-1-carbonyl)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;2-piperidin-1-ylethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate;piperidin-4-ylmethyl 2-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butyl]phenoxy]acetate is sourced from PubChem (CID 157399725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).