3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C154H176Cl6F2N56O28S6 — CID 159239546

IUPAC3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)OC.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOC(c6ccccc6)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCC5CCCO5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5ccc(F)cc5F)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5cccnc5)c4)CC3)N2)nc1Cl
InChIInChI=1S/C29H32ClN9O5S.C26H26ClF2N9O4S.C26H29ClN10O4S.C25H27ClN10O4S.C24H32ClN9O6S.C24H30ClN9O5S/c30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)9-11-38(12-10-29)27(41)19-7-4-8-20(15-19)45(42,43)39-13-14-44-21(16-39)18-5-2-1-3-6-18;27-20-22(31)35-21(30)19(34-20)23(39)36-25-32-13-26(37-25)6-8-38(9-7-26)24(40)14-2-1-3-17(10-14)43(41,42)33-12-15-4-5-16(28)11-18(15)29;1-15(16-5-9-30-10-6-16)36-42(40,41)18-4-2-3-17(13-18)24(39)37-11-7-26(8-12-37)14-31-25(35-26)34-23(38)19-21(28)33-22(29)20(27)32-19;26-19-21(28)33-20(27)18(32-19)22(37)34-24-30-14-25(35-24)6-9-36(10-7-25)23(38)16-4-1-5-17(11-16)41(39,40)31-13-15-3-2-8-29-12-15;1-33(12-16(39-2)40-3)41(37,38)15-6-4-5-14(11-15)22(36)34-9-7-24(8-10-34)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;25-18-20(27)31-19(26)17(30-18)21(35)32-23-28-13-24(33-23)6-8-34(9-7-24)22(36)14-3-1-5-16(11-14)40(37,38)29-12-15-4-2-10-39-15/h1-8,15,21H,9-14,16-17H2,(H4,31,32,35)(H2,33,36,37,40);1-5,10-11,33H,6-9,12-13H2,(H4,30,31,35)(H2,32,36,37,39);2-6,9-10,13,15,36H,7-8,11-12,14H2,1H3,(H4,28,29,33)(H2,31,34,35,38);1-5,8,11-12,31H,6-7,9-10,13-14H2,(H4,27,28,33)(H2,30,34,35,37);4-6,11,16H,7-10,12-13H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);1,3,5,11,15,29H,2,4,6-10,12-13H2,(H4,26,27,31)(H2,28,32,33,35)
InChIKeyKTXCFTQCSBCMCY-UHFFFAOYSA-N
MW3702.58 g/mol
LogP4.47
Rot. Bonds37

About 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159239546) has the molecular formula C154H176Cl6F2N56O28S6 and a molecular weight of 3702.58 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID159239546
Molecular FormulaC154H176Cl6F2N56O28S6
Molecular Weight3702.58 g/mol
Exact Mass3697.05
IUPAC Name3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)OC.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOC(c6ccccc6)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCC5CCCO5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5ccc(F)cc5F)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5cccnc5)c4)CC3)N2)nc1Cl
InChIInChI=1S/C29H32ClN9O5S.C26H26ClF2N9O4S.C26H29ClN10O4S.C25H27ClN10O4S.C24H32ClN9O6S.C24H30ClN9O5S/c30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)9-11-38(12-10-29)27(41)19-7-4-8-20(15-19)45(42,43)39-13-14-44-21(16-39)18-5-2-1-3-6-18;27-20-22(31)35-21(30)19(34-20)23(39)36-25-32-13-26(37-25)6-8-38(9-7-26)24(40)14-2-1-3-17(10-14)43(41,42)33-12-15-4-5-16(28)11-18(15)29;1-15(16-5-9-30-10-6-16)36-42(40,41)18-4-2-3-17(13-18)24(39)37-11-7-26(8-12-37)14-31-25(35-26)34-23(38)19-21(28)33-22(29)20(27)32-19;26-19-21(28)33-20(27)18(32-19)22(37)34-24-30-14-25(35-24)6-9-36(10-7-25)23(38)16-4-1-5-17(11-16)41(39,40)31-13-15-3-2-8-29-12-15;1-33(12-16(39-2)40-3)41(37,38)15-6-4-5-14(11-15)22(36)34-9-7-24(8-10-34)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;25-18-20(27)31-19(26)17(30-18)21(35)32-23-28-13-24(33-23)6-8-34(9-7-24)22(36)14-3-1-5-16(11-14)40(37,38)29-12-15-4-2-10-39-15/h1-8,15,21H,9-14,16-17H2,(H4,31,32,35)(H2,33,36,37,40);1-5,10-11,33H,6-9,12-13H2,(H4,30,31,35)(H2,32,36,37,39);2-6,9-10,13,15,36H,7-8,11-12,14H2,1H3,(H4,28,29,33)(H2,31,34,35,38);1-5,8,11-12,31H,6-7,9-10,13-14H2,(H4,27,28,33)(H2,30,34,35,37);4-6,11,16H,7-10,12-13H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);1,3,5,11,15,29H,2,4,6-10,12-13H2,(H4,26,27,31)(H2,28,32,33,35)
InChIKeyKTXCFTQCSBCMCY-UHFFFAOYSA-N
XLogP4.47
TPSA1231.86 Ų
H-Bond Donors28
H-Bond Acceptors66
Rotatable Bonds37
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003702.58
LogP ≤ 54.47
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-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 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 159239546) is 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1)OC.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOC(c6ccccc6)C5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCC5CCCO5)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5ccc(F)cc5F)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCc5cccnc5)c4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is KTXCFTQCSBCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN9O5S.C26H26ClF2N9O4S.C26H29ClN10O4S.C25H27ClN10O4S.C24H32ClN9O6S.C24H30ClN9O5S/c30-23-25(32)35-24(31)22(34-23)26(40)36-28-33-17-29(37-28)9-11-38(12-10-29)27(41)19-7-4-8-20(15-19)45(42,43)39-13-14-44-21(16-39)18-5-2-1-3-6-18;27-20-22(31)35-21(30)19(34-20)23(39)36-25-32-13-26(37-25)6-8-38(9-7-26)24(40)14-2-1-3-17(10-14)43(41,42)33-12-15-4-5-16(28)11-18(15)29;1-15(16-5-9-30-10-6-16)36-42(40,41)18-4-2-3-17(13-18)24(39)37-11-7-26(8-12-37)14-31-25(35-26)34-23(38)19-21(28)33-22(29)20(27)32-19;26-19-21(28)33-20(27)18(32-19)22(37)34-24-30-14-25(35-24)6-9-36(10-7-25)23(38)16-4-1-5-17(11-16)41(39,40)31-13-15-3-2-8-29-12-15;1-33(12-16(39-2)40-3)41(37,38)15-6-4-5-14(11-15)22(36)34-9-7-24(8-10-34)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;25-18-20(27)31-19(26)17(30-18)21(35)32-23-28-13-24(33-23)6-8-34(9-7-24)22(36)14-3-1-5-16(11-14)40(37,38)29-12-15-4-2-10-39-15/h1-8,15,21H,9-14,16-17H2,(H4,31,32,35)(H2,33,36,37,40);1-5,10-11,33H,6-9,12-13H2,(H4,30,31,35)(H2,32,36,37,39);2-6,9-10,13,15,36H,7-8,11-12,14H2,1H3,(H4,28,29,33)(H2,31,34,35,38);1-5,8,11-12,31H,6-7,9-10,13-14H2,(H4,27,28,33)(H2,30,34,35,37);4-6,11,16H,7-10,12-13H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);1,3,5,11,15,29H,2,4,6-10,12-13H2,(H4,26,27,31)(H2,28,32,33,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3702.58 g/mol, XLogP of 4.47, 37 rotatable bonds, 28 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159239546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).