About 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 162119610) has the molecular formula C136H158Cl5F2N45O23S5
and a molecular weight of 3166.65 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-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-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 162119610) is 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-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-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-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-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.Cc1cnc(CNS(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)cn1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)N4CCC(N5CCCC5)CC4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc(S(=O)(=O)NCc4cccc(OC(F)F)c4)c2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)N5CCOC(c6ccccc6)C5)c4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is ZHFSSZNLXFMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN9O5S.C29H38ClN9O4S.C28H29ClF2N8O5S.C26H29ClN10O4S.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;30-24-26(32)35-25(31)23(34-24)27(40)33-22-6-9-29(36-22)10-16-38(17-11-29)28(41)19-4-3-5-21(18-19)44(42,43)39-14-7-20(8-15-39)37-12-1-2-13-37;29-22-24(33)37-23(32)21(36-22)25(40)35-20-7-8-28(38-20)9-11-39(12-10-28)26(41)17-4-2-6-19(14-17)45(42,43)34-15-16-3-1-5-18(13-16)44-27(30)31;1-15-12-31-17(13-30-15)14-32-42(40,41)18-4-2-3-16(11-18)25(39)37-9-7-26(8-10-37)6-5-19(36-26)33-24(38)20-22(28)35-23(29)21(27)34-20;1-33(2)17(35)13-28-40(38,39)15-5-3-4-14(12-15)23(37)34-10-8-24(9-11-34)7-6-16(32-24)29-22(36)18-20(26)31-21(27)19(25)30-18/h1-8,15,21H,9-14,16-17H2,(H4,31,32,35)(H2,33,36,37,40);3-5,18,20H,1-2,6-17H2,(H4,31,32,35)(H,33,36,40);1-6,13-14,27,34H,7-12,15H2,(H4,32,33,37)(H,35,38,40);2-4,11-13,32H,5-10,14H2,1H3,(H4,28,29,35)(H,33,36,38);3-5,12,28H,6-11,13H2,1-2H3,(H4,26,27,31)(H,29,32,36).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3166.65 g/mol, XLogP of 8.26, 30 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)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-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]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]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162119610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).