3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C167H189Cl6F2N49O28S6 — CID 159543101

IUPAC3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCC(F)Oc1cccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c1.CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccccc1.CN(Cc1cccnc1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c(F)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl
InChIInChI=1S/C30H33ClN8O5S.C29H32ClFN8O5S.C28H30ClFN8O4S.C28H31ClN8O4S.C27H30ClN9O4S.C25H33ClN8O6S/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-10-30(37-23)11-13-38(14-12-30)29(41)20-7-4-8-21(17-20)45(42,43)39-15-16-44-22(18-39)19-5-2-1-3-6-19;1-17(31)44-20-6-2-4-18(14-20)16-34-45(42,43)21-7-3-5-19(15-21)28(41)39-12-10-29(11-13-39)9-8-22(38-29)35-27(40)23-25(32)37-26(33)24(30)36-23;1-16-5-6-18(20(30)13-16)15-33-43(41,42)19-4-2-3-17(14-19)27(40)38-11-9-28(10-12-38)8-7-21(37-28)34-26(39)22-24(31)36-25(32)23(29)35-22;1-17(18-6-3-2-4-7-18)36-42(40,41)20-9-5-8-19(16-20)27(39)37-14-12-28(13-15-37)11-10-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-36(16-17-4-3-11-31-15-17)42(40,41)19-6-2-5-18(14-19)26(39)37-12-9-27(10-13-37)8-7-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;1-33(14-18(39-2)40-3)41(37,38)16-6-4-5-15(13-16)24(36)34-11-9-25(10-12-34)8-7-17(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);2-7,14-15,17,34H,8-13,16H2,1H3,(H4,32,33,37)(H,35,38,40);2-6,13-14,33H,7-12,15H2,1H3,(H4,31,32,36)(H,34,37,39);2-9,16-17,36H,10-15H2,1H3,(H4,30,31,34)(H,32,35,38);2-6,11,14-15H,7-10,12-13,16H2,1H3,(H4,29,30,34)(H,32,35,38);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35)
InChIKeyMELRCUZLXGYYLU-UHFFFAOYSA-N
MW3773.78 g/mol
LogP14.70
Rot. Bonds39

About 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159543101) has the molecular formula C167H189Cl6F2N49O28S6 and a molecular weight of 3773.78 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID159543101
Molecular FormulaC167H189Cl6F2N49O28S6
Molecular Weight3773.78 g/mol
Exact Mass3768.13
IUPAC Name3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCC(F)Oc1cccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c1.CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccccc1.CN(Cc1cccnc1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c(F)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl
InChIInChI=1S/C30H33ClN8O5S.C29H32ClFN8O5S.C28H30ClFN8O4S.C28H31ClN8O4S.C27H30ClN9O4S.C25H33ClN8O6S/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-10-30(37-23)11-13-38(14-12-30)29(41)20-7-4-8-21(17-20)45(42,43)39-15-16-44-22(18-39)19-5-2-1-3-6-19;1-17(31)44-20-6-2-4-18(14-20)16-34-45(42,43)21-7-3-5-19(15-21)28(41)39-12-10-29(11-13-39)9-8-22(38-29)35-27(40)23-25(32)37-26(33)24(30)36-23;1-16-5-6-18(20(30)13-16)15-33-43(41,42)19-4-2-3-17(14-19)27(40)38-11-9-28(10-12-38)8-7-21(37-28)34-26(39)22-24(31)36-25(32)23(29)35-22;1-17(18-6-3-2-4-7-18)36-42(40,41)20-9-5-8-19(16-20)27(39)37-14-12-28(13-15-37)11-10-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-36(16-17-4-3-11-31-15-17)42(40,41)19-6-2-5-18(14-19)26(39)37-12-9-27(10-13-37)8-7-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;1-33(14-18(39-2)40-3)41(37,38)16-6-4-5-15(13-16)24(36)34-11-9-25(10-12-34)8-7-17(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);2-7,14-15,17,34H,8-13,16H2,1H3,(H4,32,33,37)(H,35,38,40);2-6,13-14,33H,7-12,15H2,1H3,(H4,31,32,36)(H,34,37,39);2-9,16-17,36H,10-15H2,1H3,(H4,30,31,34)(H,32,35,38);2-6,11,14-15H,7-10,12-13,16H2,1H3,(H4,29,30,34)(H,32,35,38);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35)
InChIKeyMELRCUZLXGYYLU-UHFFFAOYSA-N
XLogP14.70
TPSA1138.00 Ų
H-Bond Donors21
H-Bond Acceptors59
Rotatable Bonds39
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003773.78
LogP ≤ 514.70
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1059

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-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 159543101) is 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CC(F)Oc1cccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c1.CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccccc1.CN(Cc1cccnc1)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)c(F)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is MELRCUZLXGYYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O5S.C29H32ClFN8O5S.C28H30ClFN8O4S.C28H31ClN8O4S.C27H30ClN9O4S.C25H33ClN8O6S/c31-25-27(33)36-26(32)24(35-25)28(40)34-23-9-10-30(37-23)11-13-38(14-12-30)29(41)20-7-4-8-21(17-20)45(42,43)39-15-16-44-22(18-39)19-5-2-1-3-6-19;1-17(31)44-20-6-2-4-18(14-20)16-34-45(42,43)21-7-3-5-19(15-21)28(41)39-12-10-29(11-13-39)9-8-22(38-29)35-27(40)23-25(32)37-26(33)24(30)36-23;1-16-5-6-18(20(30)13-16)15-33-43(41,42)19-4-2-3-17(14-19)27(40)38-11-9-28(10-12-38)8-7-21(37-28)34-26(39)22-24(31)36-25(32)23(29)35-22;1-17(18-6-3-2-4-7-18)36-42(40,41)20-9-5-8-19(16-20)27(39)37-14-12-28(13-15-37)11-10-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-36(16-17-4-3-11-31-15-17)42(40,41)19-6-2-5-18(14-19)26(39)37-12-9-27(10-13-37)8-7-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;1-33(14-18(39-2)40-3)41(37,38)16-6-4-5-15(13-16)24(36)34-11-9-25(10-12-34)8-7-17(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);2-7,14-15,17,34H,8-13,16H2,1H3,(H4,32,33,37)(H,35,38,40);2-6,13-14,33H,7-12,15H2,1H3,(H4,31,32,36)(H,34,37,39);2-9,16-17,36H,10-15H2,1H3,(H4,30,31,34)(H,32,35,38);2-6,11,14-15H,7-10,12-13,16H2,1H3,(H4,29,30,34)(H,32,35,38);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3773.78 g/mol, XLogP of 14.70, 39 rotatable bonds, 21 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[3-[2,2-dimethoxyethyl(methyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[3-(1-fluoroethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(2-fluoro-4-methylphenyl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(1-phenylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159543101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).