bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

C227H281Cl10N79O30 — CID 159060063

IUPACbis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc12.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl
InChIInChI=1S/2C33H45Cl2N15O4.C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C26H31ClN8O3.C24H27ClN8O3/c2*34-21-25(38)44-23(36)19(42-21)27(51)41-18-5-6-32(47-18)7-11-49(12-8-32)29(53)16-1-3-17(4-2-16)30(54)50-13-9-33(10-14-50)15-40-31(48-33)46-28(52)20-24(37)45-26(39)22(35)43-20;1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-14-15(2)35(11-12-36)18-4-3-16(13-17(14)18)25(38)34-9-7-26(8-10-34)6-5-19(33-26)30-24(37)20-22(28)32-23(29)21(27)31-20;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h2*16-18,47H,1-15H2,(H,41,51)(H4,36,38,44)(H4,37,39,45)(H2,40,46,48,52);5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-4,13,36H,5-12H2,1-2H3,(H4,28,29,32)(H,30,33,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35)
InChIKeyJYISHFVCKMJWPV-UHFFFAOYSA-N
MW4950.80 g/mol
LogP15.81
Rot. Bonds45

About bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 159060063) has the molecular formula C227H281Cl10N79O30 and a molecular weight of 4950.80 g/mol. Its IUPAC name is bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.

Molecular Properties

Compound Namebis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
PubChem CID159060063
Molecular FormulaC227H281Cl10N79O30
Molecular Weight4950.80 g/mol
Exact Mass4942.98
IUPAC Namebis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc12.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl
InChIInChI=1S/2C33H45Cl2N15O4.C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C26H31ClN8O3.C24H27ClN8O3/c2*34-21-25(38)44-23(36)19(42-21)27(51)41-18-5-6-32(47-18)7-11-49(12-8-32)29(53)16-1-3-17(4-2-16)30(54)50-13-9-33(10-14-50)15-40-31(48-33)46-28(52)20-24(37)45-26(39)22(35)43-20;1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-14-15(2)35(11-12-36)18-4-3-16(13-17(14)18)25(38)34-9-7-26(8-10-34)6-5-19(33-26)30-24(37)20-22(28)32-23(29)21(27)31-20;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h2*16-18,47H,1-15H2,(H,41,51)(H4,36,38,44)(H4,37,39,45)(H2,40,46,48,52);5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-4,13,36H,5-12H2,1-2H3,(H4,28,29,32)(H,30,33,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35)
InChIKeyJYISHFVCKMJWPV-UHFFFAOYSA-N
XLogP15.81
TPSA1582.10 Ų
H-Bond Donors36
H-Bond Acceptors88
Rotatable Bonds45
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004950.80
LogP ≤ 515.81
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1088

Analyze bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The IUPAC name of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (CID 159060063) is bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.
What is the SMILES notation for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The canonical SMILES for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc12.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCC2OCCCO2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2ccn4CCO)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCC(C(=O)N5CCC6(CCC(NC(=O)c7nc(Cl)c(N)nc7N)N6)CC5)CC4)CC3)N2)nc1Cl.
What is the InChIKey of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The InChIKey is JYISHFVCKMJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H45Cl2N15O4.C28H34ClN9O3.C28H35ClN8O5.C28H33ClN8O4.C27H31ClN8O4.C26H31ClN8O3.C24H27ClN8O3/c2*34-21-25(38)44-23(36)19(42-21)27(51)41-18-5-6-32(47-18)7-11-49(12-8-32)29(53)16-1-3-17(4-2-16)30(54)50-13-9-33(10-14-50)15-40-31(48-33)46-28(52)20-24(37)45-26(39)22(35)43-20;1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;29-23-25(31)34-24(30)22(33-23)26(38)32-20-5-8-28(35-20)9-13-37(14-10-28)27(39)18-3-1-4-19-17(18)6-11-36(19)12-7-21-40-15-2-16-41-21;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-14-15(2)35(11-12-36)18-4-3-16(13-17(14)18)25(38)34-9-7-26(8-10-34)6-5-19(33-26)30-24(37)20-22(28)32-23(29)21(27)31-20;25-19-21(27)30-20(26)18(29-19)22(35)28-17-4-6-24(31-17)7-10-33(11-8-24)23(36)15-2-1-3-16-14(15)5-9-32(16)12-13-34/h2*16-18,47H,1-15H2,(H,41,51)(H4,36,38,44)(H4,37,39,45)(H2,40,46,48,52);5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);1,3-4,6,11,21H,2,5,7-10,12-16H2,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-4,13,36H,5-12H2,1-2H3,(H4,28,29,32)(H,30,33,37);1-3,5,9,34H,4,6-8,10-13H2,(H4,26,27,30)(H,28,31,35).
What are the key properties of bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 4950.80 g/mol, XLogP of 15.81, 45 rotatable bonds, 36 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diamino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 159060063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).