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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride (PubChem CID 159377751) has the molecular formula C145H171Cl6N55O19S3
and a molecular weight of 3297.25 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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride.
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride?
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride (CID 159377751) 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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride.
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride?
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride is CC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.CC(C)OCCCCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2c[nH+]c(N)nc2N)N3)c1.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)CC4=NN=C(c5ccccc5)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.[Cl-].
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride?
The InChIKey is XNGUNKWLPKNVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN9O4S.C26H36N8O5S.C24H31ClN10O3.C23H29ClN10O3.C23H25ClN10O2.C22H23ClN8O2S.ClH/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;1-17(2)39-12-3-4-13-40(37,38)19-7-5-6-18(14-19)23(36)34-10-8-26(9-11-34)16-30-25(33-26)32-22(35)20-15-29-24(28)31-21(20)27;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;24-18-20(26)29-19(25)17(28-18)21(36)30-22-27-12-23(31-22)6-8-34(9-7-23)16(35)11-14-10-15(33-32-14)13-4-2-1-3-5-13;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;/h1-9,14H,10-13,15H2,(H4,29,30,33)(H2,31,34,35,38);5-7,14-15,17H,3-4,8-13,16H2,1-2H3,(H4,27,28,29,31)(H2,30,32,33,35);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);1-5H,6-12H2,(H4,25,26,29)(H2,27,30,31,36);1-4,10H,5-9,11H2,(H4,24,25,28)(H2,26,29,30,33);1H.
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride?
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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride has a molecular weight of 3297.25 g/mol, XLogP of 3.32, 30 rotatable bonds, 26 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-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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,4-diamino-N-[8-[3-(4-propan-2-yloxybutylsulfonyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrimidin-1-ium-5-carboxamide;chloride is sourced from PubChem (CID 159377751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).