About 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158137912) has the molecular formula C136H161Cl6N57O18S3
and a molecular weight of 3191.08 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158137912) is 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.CCCCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.Cc1nc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)n[nH]1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(CCCn5cccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is FTOPWLWBCCOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN9O4S.C24H31ClN10O3.C23H29ClN10O3.C23H30ClN9O4S.C22H23ClN8O2S.C17H22ClN11O2/c28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)10-12-36(13-11-27)25(39)18-14-37(19-9-5-4-8-17(18)19)42(40,41)16-6-2-1-3-7-16;25-18-20(27)30-19(26)17(29-18)21(37)31-23-28-14-24(32-23)4-10-34(11-5-24)22(38)15-12-16(36)35(13-15)9-3-8-33-6-1-2-7-33;1-12(2)28-22(37)29-14-5-3-4-13(10-14)20(36)34-8-6-23(7-9-34)11-27-21(33-23)32-19(35)15-17(25)31-18(26)16(24)30-15;1-2-3-9-28-38(36,37)15-6-4-5-14(12-15)21(35)33-10-7-23(8-11-33)13-27-22(32-23)31-20(34)16-18(25)30-19(26)17(24)29-16;23-17-19(25)28-18(24)16(27-17)20(33)29-21-26-11-22(30-21)5-7-31(8-6-22)15(32)9-12-10-34-14-4-2-1-3-13(12)14;1-8-22-9(28-27-8)6-10(30)29-4-2-17(3-5-29)7-21-16(26-17)25-15(31)11-13(19)24-14(20)12(18)23-11/h1-9,14H,10-13,15H2,(H4,29,30,33)(H2,31,34,35,38);1-2,6-7,15H,3-5,8-14H2,(H4,26,27,30)(H2,28,31,32,37);3-5,10,12H,6-9,11H2,1-2H3,(H4,25,26,31)(H2,28,29,37)(H2,27,32,33,35);4-6,12,28H,2-3,7-11,13H2,1H3,(H4,25,26,30)(H2,27,31,32,34);1-4,10H,5-9,11H2,(H4,24,25,28)(H2,26,29,30,33);2-7H2,1H3,(H4,19,20,24)(H,22,27,28)(H2,21,25,26,31).
What are the key properties of 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3191.08 g/mol, XLogP of 4.68, 27 rotatable bonds, 28 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[1-(benzenesulfonyl)indole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-[3-(butylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158137912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).