About 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide
2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 160758535) has the molecular formula C185H184Cl5F17N40O20
and a molecular weight of 3788.00 g/mol. Its IUPAC name is 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide (CID 160758535) is 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide is Cc1cc(F)cc(NC(=O)C(=O)N2CCC3(CCN(C(=O)c4ccc(Nc5nc(NC6(c7ccc(Cl)cc7)CC6)nc(OCC(F)(F)F)n5)cc4)C3)C2)c1.Cc1ccc(CNC(=O)C(=O)N2CCC3(CCN(C(=O)c4ccc(Nc5nc(NC6(c7ccc(Cl)cc7)CC6)nc(OCC(F)(F)F)n5)cc4)C3)C2)cc1.Cc1ccc(NC(=O)C(=O)N2CCC3(CCN(C(=O)c4ccc(Nc5nc(NC6(c7ccc(Cl)cc7)CC6)nc(OCC(F)(F)F)n5)cc4)C3)C2)c(F)c1.Cc1ccc(NC(=O)C(=O)N2CCC3(CCN(C(=O)c4ccc(Nc5nc(NC6(c7ccc(Cl)cc7)CC6)nc(OCC(F)(F)F)n5)cc4)C3)C2)cc1.O=C(NC1CCCCC1)C(=O)N1CCC2(CCN(C(=O)c3ccc(Nc4nc(NC5(c6ccc(Cl)cc6)CC5)nc(OCC(F)(F)F)n4)cc3)C2)C1.
What is the InChIKey of 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is RXTCGYIASLQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38ClF3N8O4.2C37H35ClF4N8O4.C37H36ClF3N8O4.C36H40ClF3N8O4/c1-24-2-4-25(5-3-24)20-43-30(51)32(53)50-19-17-36(22-50)16-18-49(21-36)31(52)26-6-12-29(13-7-26)44-33-45-34(47-35(46-33)54-23-38(40,41)42)48-37(14-15-37)27-8-10-28(39)11-9-27;1-22-2-11-28(27(39)18-22)44-29(51)31(53)50-17-15-35(20-50)14-16-49(19-35)30(52)23-3-9-26(10-4-23)43-32-45-33(47-34(46-32)54-21-37(40,41)42)48-36(12-13-36)24-5-7-25(38)8-6-24;1-22-16-26(39)18-28(17-22)43-29(51)31(53)50-15-13-35(20-50)12-14-49(19-35)30(52)23-2-8-27(9-3-23)44-32-45-33(47-34(46-32)54-21-37(40,41)42)48-36(10-11-36)24-4-6-25(38)7-5-24;1-23-2-10-27(11-3-23)42-29(50)31(52)49-19-17-35(21-49)16-18-48(20-35)30(51)24-4-12-28(13-5-24)43-32-44-33(46-34(45-32)53-22-37(39,40)41)47-36(14-15-36)25-6-8-26(38)9-7-25;37-25-10-8-24(9-11-25)35(14-15-35)46-32-43-31(44-33(45-32)52-22-36(38,39)40)42-27-12-6-23(7-13-27)29(50)47-18-16-34(20-47)17-19-48(21-34)30(51)28(49)41-26-4-2-1-3-5-26/h2-13H,14-23H2,1H3,(H,43,51)(H2,44,45,46,47,48);2-11,18H,12-17,19-21H2,1H3,(H,44,51)(H2,43,45,46,47,48);2-9,16-18H,10-15,19-21H2,1H3,(H,43,51)(H2,44,45,46,47,48);2-13H,14-22H2,1H3,(H,42,50)(H2,43,44,45,46,47);6-13,26H,1-5,14-22H2,(H,41,49)(H2,42,43,44,45,46).
What are the key properties of 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 3788.00 g/mol, XLogP of 31.07, 46 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-cyclohexyl-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(2-fluoro-4-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(3-fluoro-5-methylphenyl)-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(4-methylphenyl)methyl]-2-oxoacetamide;2-[7-[4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]benzoyl]-2,7-diazaspiro[4.4]nonan-2-yl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 160758535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).