About [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen
[3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (PubChem CID 159003548) has the molecular formula C170H194Cl5F13N54O16
and a molecular weight of 3674.02 g/mol. Its IUPAC name is [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.
Frequently Asked Questions
What is the IUPAC name of [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The IUPAC name of [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen (CID 159003548) is [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen.
What is the SMILES notation for [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The canonical SMILES for [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NC(C)C.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C(C)C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1C(=O)N1CC(CO)(CO)C1.COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NCC(F)(F)F.Cn1nc(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(Oc3ccccc3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
The InChIKey is JRQGEIRLIVPZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O4.C23H26ClN7O2.C22H21ClF3N7O2.C22H17ClN6O.C22H25N7O2.C21H20F3N7O2.C20H17F4N7O2.C17H12ClF3N6O.16H2/c1-30-22(26-17-6-5-16-15(19(17)24)8-25-28-16)27-20(29-30)13-3-4-14(18(7-13)35-2)21(34)31-9-23(10-31,11-32)12-33;1-12(2)26-22(32)15-7-6-14(10-19(15)33-5)21-28-23(31(30-21)13(3)4)27-18-9-8-17-16(20(18)24)11-25-29-17;1-11(2)33-21(29-16-7-6-15-14(18(16)23)9-28-31-15)30-19(32-33)12-4-5-13(17(8-12)35-3)20(34)27-10-22(24,25)26;1-29-22(25-19-12-11-18-17(20(19)23)13-24-27-18)26-21(28-29)14-7-9-16(10-8-14)30-15-5-3-2-4-6-15;1-12(2)24-21(30)15-7-6-14(10-19(15)31-5)20-26-22(29(4)28-20)25-17-8-9-18-16(13(17)3)11-23-27-18;1-11-14-9-26-29-16(14)7-6-15(11)27-20-28-18(30-31(20)2)12-4-5-13(17(8-12)33-3)19(32)25-10-21(22,23)24;1-31-19(27-14-6-5-13-12(16(14)21)8-26-29-13)28-17(30-31)10-3-4-11(15(7-10)33-2)18(32)25-9-20(22,23)24;1-27-16(23-13-7-6-12-11(14(13)18)8-22-25-12)24-15(26-27)9-2-4-10(5-3-9)28-17(19,20)21;;;;;;;;;;;;;;;;/h3-8,32-33H,9-12H2,1-2H3,(H,25,28)(H,26,27,29);6-13H,1-5H3,(H,25,29)(H,26,32)(H,27,28,30);4-9,11H,10H2,1-3H3,(H,27,34)(H,28,31)(H,29,30,32);2-13H,1H3,(H,24,27)(H,25,26,28);6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28);4-9H,10H2,1-3H3,(H,25,32)(H,26,29)(H,27,28,30);3-8H,9H2,1-2H3,(H,25,32)(H,26,29)(H,27,28,30);2-8H,1H3,(H,22,25)(H,23,24,26);16*1H.
What are the key properties of [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen?
[3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen has a molecular weight of 3674.02 g/mol, XLogP of 37.18, 48 rotatable bonds, 23 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(hydroxymethyl)azetidin-1-yl]-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methanone;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-propan-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;4-chloro-N-[2-methyl-5-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-[5-[(4-fluoro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 159003548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).