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

C160H182Cl6F2N50O28S6 — CID 159984659

IUPAC3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCC4CCCO4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4ccc(F)cc4F)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccnc4)c2)CC3)nc1Cl
InChIInChI=1S/C30H33ClN8O5S.C27H27ClF2N8O4S.C27H30ClN9O4S.C26H28ClN9O4S.C25H33ClN8O6S.C25H31ClN8O5S/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;28-22-24(32)36-23(31)21(35-22)25(39)34-20-6-7-27(37-20)8-10-38(11-9-27)26(40)15-2-1-3-18(12-15)43(41,42)33-14-16-4-5-17(29)13-19(16)30;1-16(17-6-11-31-12-7-17)36-42(40,41)19-4-2-3-18(15-19)26(39)37-13-9-27(10-14-37)8-5-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;27-21-23(29)34-22(28)20(33-21)24(37)32-19-6-7-26(35-19)8-11-36(12-9-26)25(38)17-4-1-5-18(13-17)41(39,40)31-15-16-3-2-10-30-14-16;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;26-20-22(28)32-21(27)19(31-20)23(35)30-18-6-7-25(33-18)8-10-34(11-9-25)24(36)15-3-1-5-17(13-15)40(37,38)29-14-16-4-2-12-39-16/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);1-5,12-13,33H,6-11,14H2,(H4,31,32,36)(H,34,37,39);2-4,6-7,11-12,15-16,36H,5,8-10,13-14H2,1H3,(H4,29,30,34)(H,32,35,38);1-5,10,13-14,31H,6-9,11-12,15H2,(H4,28,29,34)(H,32,35,37);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35);1,3,5,13,16,29H,2,4,6-12,14H2,(H4,27,28,32)(H,30,33,35)
InChIKeyOGEILOFBXBUOBF-UHFFFAOYSA-N
MW3696.65 g/mol
LogP11.87
Rot. Bonds37

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

3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159984659) has the molecular formula C160H182Cl6F2N50O28S6 and a molecular weight of 3696.65 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID159984659
Molecular FormulaC160H182Cl6F2N50O28S6
Molecular Weight3696.65 g/mol
Exact Mass3691.08
IUPAC Name3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCC4CCCO4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4ccc(F)cc4F)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccnc4)c2)CC3)nc1Cl
InChIInChI=1S/C30H33ClN8O5S.C27H27ClF2N8O4S.C27H30ClN9O4S.C26H28ClN9O4S.C25H33ClN8O6S.C25H31ClN8O5S/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;28-22-24(32)36-23(31)21(35-22)25(39)34-20-6-7-27(37-20)8-10-38(11-9-27)26(40)15-2-1-3-18(12-15)43(41,42)33-14-16-4-5-17(29)13-19(16)30;1-16(17-6-11-31-12-7-17)36-42(40,41)19-4-2-3-18(15-19)26(39)37-13-9-27(10-14-37)8-5-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;27-21-23(29)34-22(28)20(33-21)24(37)32-19-6-7-26(35-19)8-11-36(12-9-26)25(38)17-4-1-5-18(13-17)41(39,40)31-15-16-3-2-10-30-14-16;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;26-20-22(28)32-21(27)19(31-20)23(35)30-18-6-7-25(33-18)8-10-34(11-9-25)24(36)15-3-1-5-17(13-15)40(37,38)29-14-16-4-2-12-39-16/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);1-5,12-13,33H,6-11,14H2,(H4,31,32,36)(H,34,37,39);2-4,6-7,11-12,15-16,36H,5,8-10,13-14H2,1H3,(H4,29,30,34)(H,32,35,38);1-5,10,13-14,31H,6-9,11-12,15H2,(H4,28,29,34)(H,32,35,37);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35);1,3,5,13,16,29H,2,4,6-12,14H2,(H4,27,28,32)(H,30,33,35)
InChIKeyOGEILOFBXBUOBF-UHFFFAOYSA-N
XLogP11.87
TPSA1159.68 Ų
H-Bond Donors22
H-Bond Acceptors60
Rotatable Bonds37
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003696.65
LogP ≤ 511.87
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1060

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]-1,8-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-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-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-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-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 159984659) is 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-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-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-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-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CC(NS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)c1ccncc1.COC(CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1)OC.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCOC(c5ccccc5)C4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCC4CCCO4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4ccc(F)cc4F)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccnc4)c2)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is OGEILOFBXBUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O5S.C27H27ClF2N8O4S.C27H30ClN9O4S.C26H28ClN9O4S.C25H33ClN8O6S.C25H31ClN8O5S/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;28-22-24(32)36-23(31)21(35-22)25(39)34-20-6-7-27(37-20)8-10-38(11-9-27)26(40)15-2-1-3-18(12-15)43(41,42)33-14-16-4-5-17(29)13-19(16)30;1-16(17-6-11-31-12-7-17)36-42(40,41)19-4-2-3-18(15-19)26(39)37-13-9-27(10-14-37)8-5-20(35-27)32-25(38)21-23(29)34-24(30)22(28)33-21;27-21-23(29)34-22(28)20(33-21)24(37)32-19-6-7-26(35-19)8-11-36(12-9-26)25(38)17-4-1-5-18(13-17)41(39,40)31-15-16-3-2-10-30-14-16;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;26-20-22(28)32-21(27)19(31-20)23(35)30-18-6-7-25(33-18)8-10-34(11-9-25)24(36)15-3-1-5-17(13-15)40(37,38)29-14-16-4-2-12-39-16/h1-8,17,22H,9-16,18H2,(H4,32,33,36)(H,34,37,40);1-5,12-13,33H,6-11,14H2,(H4,31,32,36)(H,34,37,39);2-4,6-7,11-12,15-16,36H,5,8-10,13-14H2,1H3,(H4,29,30,34)(H,32,35,38);1-5,10,13-14,31H,6-9,11-12,15H2,(H4,28,29,34)(H,32,35,37);4-6,13,18H,7-12,14H2,1-3H3,(H4,27,28,31)(H,29,32,35);1,3,5,13,16,29H,2,4,6-12,14H2,(H4,27,28,32)(H,30,33,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[(2,4-difluorophenyl)methylsulfamoyl]benzoyl]-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3696.65 g/mol, XLogP of 11.87, 37 rotatable bonds, 22 hydrogen bond donors, and 60 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]-1,8-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-(oxolan-2-ylmethylsulfamoyl)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-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(pyridin-3-ylmethylsulfamoyl)benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159984659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).