About N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one
N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one (PubChem CID 161027678) has the molecular formula C167H207F15N32O5S6
and a molecular weight of 3220.08 g/mol. Its IUPAC name is N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one?
The IUPAC name of N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one (CID 161027678) is N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one is CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4CC(C)C4CCS(=O)(=O)NC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4CC(C)c4ccc(=O)[nH]c4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4CC(C)c4cn[nH]c4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCCCC4=O)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCN(C)CC4=O)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one?
The InChIKey is TZFAAWQGVKWIHJ-YVQNSAJYSA-N. The full InChI is InChI=1S/C34H44F3N7OS.C34H39F3N6OS.C34H43F3N6OS.C33H43F3N6O2S2.C32H38F3N7S/c1-6-30-39-32(28-16-26(17-34(35,36)37)46-33(28)40-30)38-25-9-11-42(12-10-25)19-24-7-8-29-27(23(24)4)15-21(2)44(29)18-22(3)43-14-13-41(5)20-31(43)45;1-5-30-40-32(28-15-26(16-34(35,36)37)45-33(28)41-30)39-25-10-12-42(13-11-25)19-24-6-8-29-27(22(24)4)14-21(3)43(29)18-20(2)23-7-9-31(44)38-17-23;1-5-30-39-32(28-17-26(18-34(35,36)37)45-33(28)40-30)38-25-11-14-41(15-12-25)20-24-9-10-29-27(23(24)4)16-21(2)43(29)19-22(3)42-13-7-6-8-31(42)44;1-5-30-39-31(28-15-26(16-33(34,35)36)45-32(28)40-30)38-25-8-11-41(12-9-25)19-24-6-7-29-27(22(24)4)14-21(3)42(29)18-20(2)23-10-13-46(43,44)37-17-23;1-5-29-39-30(27-13-25(14-32(33,34)35)43-31(27)40-29)38-24-8-10-41(11-9-24)18-22-6-7-28-26(21(22)4)12-20(3)42(28)17-19(2)23-15-36-37-16-23/h7-8,15-16,22,25H,6,9-14,17-20H2,1-5H3,(H,38,39,40);6-9,14-15,17,20,25H,5,10-13,16,18-19H2,1-4H3,(H,38,44)(H,39,40,41);9-10,16-17,22,25H,5-8,11-15,18-20H2,1-4H3,(H,38,39,40);6-7,14-15,20,23,25,37H,5,8-13,16-19H2,1-4H3,(H,38,39,40);6-7,12-13,15-16,19,24H,5,8-11,14,17-18H2,1-4H3,(H,36,37)(H,38,39,40)/t22-;;22-;;/m0.0../s1.
What are the key properties of N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one?
N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one has a molecular weight of 3220.08 g/mol, XLogP of 35.19, 45 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,4-dimethyl-1-[2-(1H-pyrazol-4-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[2-(1,1-dioxothiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-4-methylpiperazin-2-one;1-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]piperidin-2-one;5-[1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 161027678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).