About N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158959194) has the molecular formula C148H183Cl6F3N56O23S3
and a molecular weight of 3480.37 g/mol. Its IUPAC name is N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158959194) is N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.CCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)CC1.Cc1cc(C)nc(CS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc2)n1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(Cc5ccccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Cc4ccc(S(N)(=O)=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCn4cc(C(F)(F)F)ccc4=O)CC3)N2)nc1Cl.
What is the InChIKey of N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is JMKAFLNNSVJANV-IQTGGXRUSA-N. The full InChI is InChI=1S/C30H35ClN10O5S.C25H29ClN10O3.C25H40ClN9O4S.C24H28ClN9O3.C23H28ClN9O5S.C21H23ClF3N9O3/c1-17-15-18(2)35-22(34-17)16-47(45,46)20-5-3-19(4-6-20)36-23(42)7-8-24(43)41-13-11-30(12-14-41)10-9-21(40-30)37-29(44)25-27(32)39-28(33)26(31)38-25;1-13(37)31-17(10-14-11-29-16-5-3-2-4-15(14)16)23(39)36-8-6-25(7-9-36)12-30-24(35-25)34-22(38)18-20(27)33-21(28)19(26)32-18;1-3-35(4-2)40(38,39)29-15-16-5-7-17(8-6-16)24(37)34-13-11-25(12-14-34)10-9-18(33-25)30-23(36)19-21(27)32-22(28)20(26)31-19;25-18-20(27)30-19(26)17(29-18)21(36)31-23-28-13-24(32-23)6-8-33(9-7-24)22(37)15-10-16(35)34(12-15)11-14-4-2-1-3-5-14;24-18-20(26)30-19(25)17(29-18)21(36)31-22-28-12-23(32-22)7-9-33(10-8-23)16(35)6-3-14(34)11-13-1-4-15(5-2-13)39(27,37)38;22-15-17(27)30-16(26)14(29-15)18(37)31-19-28-10-20(32-19)4-7-33(8-5-20)13(36)3-6-34-9-11(21(23,24)25)1-2-12(34)35/h3-6,15H,7-14,16H2,1-2H3,(H,36,42)(H4,32,33,39)(H,37,40,44);2-5,11,17,29H,6-10,12H2,1H3,(H,31,37)(H4,27,28,33)(H2,30,34,35,38);16-17,29H,3-15H2,1-2H3,(H4,27,28,32)(H,30,33,36);1-5,15H,6-13H2,(H4,26,27,30)(H2,28,31,32,36);1-2,4-5H,3,6-12H2,(H4,25,26,30)(H2,27,37,38)(H2,28,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/t;17-;;;;/m.1..../s1.
What are the key properties of N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3480.37 g/mol, XLogP of 5.10, 36 rotatable bonds, 27 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-N-[8-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158959194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).