N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C137H180F13N27O6S6 — CID 158823870

IUPACN-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNC(=O)CC1CCN([C@@H](C)Cn2c(C)cc3c(C)c(CN4CCC(Nc5nc(C)nc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.Cc1c(CN2CCC(Nc3nc(F)nc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C)n2C[C@H](C)N1CCN(S(C)(=O)=O)CC1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCC(CC(=O)N(C)C)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCS(=O)(=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C37H50F3N7OS.C36H48F3N7OS.C32H41F4N7O2S2.C32H41F3N6O2S2/c1-23-17-31-25(3)28(7-8-33(31)47(23)21-24(2)46-15-9-27(10-16-46)18-34(48)44(5)6)22-45-13-11-29(12-14-45)43-35-32-19-30(20-37(38,39)40)49-36(32)42-26(4)41-35;1-22-16-30-24(3)27(6-7-32(30)46(22)20-23(2)45-14-8-26(9-15-45)17-33(47)40-5)21-44-12-10-28(11-13-44)43-34-31-18-29(19-36(37,38)39)48-35(31)42-25(4)41-34;1-20-15-26-22(3)23(5-6-28(26)43(20)18-21(2)41-11-13-42(14-12-41)47(4,44)45)19-40-9-7-24(8-10-40)37-29-27-16-25(17-32(34,35)36)46-30(27)39-31(33)38-29;1-20-15-27-22(3)24(5-6-29(27)41(20)18-21(2)40-11-13-45(42,43)14-12-40)19-39-9-7-25(8-10-39)38-30-28-16-26(17-32(33,34)35)44-31(28)37-23(4)36-30/h7-8,17,19,24,27,29H,9-16,18,20-22H2,1-6H3,(H,41,42,43);6-7,16,18,23,26,28H,8-15,17,19-21H2,1-5H3,(H,40,47)(H,41,42,43);5-6,15-16,21,24H,7-14,17-19H2,1-4H3,(H,37,38,39);5-6,15-16,21,25H,7-14,17-19H2,1-4H3,(H,36,37,38)/t24-;23-;2*21-/m0000/s1
InChIKeyIWFAUDPBGWXZEN-YIPNAFLYSA-N
MW2740.51 g/mol
LogP25.74
Rot. Bonds37

About N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 158823870) has the molecular formula C137H180F13N27O6S6 and a molecular weight of 2740.51 g/mol. Its IUPAC name is N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID158823870
Molecular FormulaC137H180F13N27O6S6
Molecular Weight2740.51 g/mol
Exact Mass2738.27
IUPAC NameN-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNC(=O)CC1CCN([C@@H](C)Cn2c(C)cc3c(C)c(CN4CCC(Nc5nc(C)nc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.Cc1c(CN2CCC(Nc3nc(F)nc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C)n2C[C@H](C)N1CCN(S(C)(=O)=O)CC1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCC(CC(=O)N(C)C)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCS(=O)(=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C37H50F3N7OS.C36H48F3N7OS.C32H41F4N7O2S2.C32H41F3N6O2S2/c1-23-17-31-25(3)28(7-8-33(31)47(23)21-24(2)46-15-9-27(10-16-46)18-34(48)44(5)6)22-45-13-11-29(12-14-45)43-35-32-19-30(20-37(38,39)40)49-36(32)42-26(4)41-35;1-22-16-30-24(3)27(6-7-32(30)46(22)20-23(2)45-14-8-26(9-15-45)17-33(47)40-5)21-44-12-10-28(11-13-44)43-34-31-18-29(19-36(37,38)39)48-35(31)42-25(4)41-34;1-20-15-26-22(3)23(5-6-28(26)43(20)18-21(2)41-11-13-42(14-12-41)47(4,44)45)19-40-9-7-24(8-10-40)37-29-27-16-25(17-32(34,35)36)46-30(27)39-31(33)38-29;1-20-15-27-22(3)24(5-6-29(27)41(20)18-21(2)40-11-13-45(42,43)14-12-40)19-39-9-7-25(8-10-39)38-30-28-16-26(17-32(33,34)35)44-31(28)37-23(4)36-30/h7-8,17,19,24,27,29H,9-16,18,20-22H2,1-6H3,(H,41,42,43);6-7,16,18,23,26,28H,8-15,17,19-21H2,1-5H3,(H,40,47)(H,41,42,43);5-6,15-16,21,24H,7-14,17-19H2,1-4H3,(H,37,38,39);5-6,15-16,21,25H,7-14,17-19H2,1-4H3,(H,36,37,38)/t24-;23-;2*21-/m0000/s1
InChIKeyIWFAUDPBGWXZEN-YIPNAFLYSA-N
XLogP25.74
TPSA317.81 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002740.51
LogP ≤ 525.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 158823870) is N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CNC(=O)CC1CCN([C@@H](C)Cn2c(C)cc3c(C)c(CN4CCC(Nc5nc(C)nc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.Cc1c(CN2CCC(Nc3nc(F)nc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C)n2C[C@H](C)N1CCN(S(C)(=O)=O)CC1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCC(CC(=O)N(C)C)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCS(=O)(=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IWFAUDPBGWXZEN-YIPNAFLYSA-N. The full InChI is InChI=1S/C37H50F3N7OS.C36H48F3N7OS.C32H41F4N7O2S2.C32H41F3N6O2S2/c1-23-17-31-25(3)28(7-8-33(31)47(23)21-24(2)46-15-9-27(10-16-46)18-34(48)44(5)6)22-45-13-11-29(12-14-45)43-35-32-19-30(20-37(38,39)40)49-36(32)42-26(4)41-35;1-22-16-30-24(3)27(6-7-32(30)46(22)20-23(2)45-14-8-26(9-15-45)17-33(47)40-5)21-44-12-10-28(11-13-44)43-34-31-18-29(19-36(37,38)39)48-35(31)42-25(4)41-34;1-20-15-26-22(3)23(5-6-28(26)43(20)18-21(2)41-11-13-42(14-12-41)47(4,44)45)19-40-9-7-24(8-10-40)37-29-27-16-25(17-32(34,35)36)46-30(27)39-31(33)38-29;1-20-15-27-22(3)24(5-6-29(27)41(20)18-21(2)40-11-13-45(42,43)14-12-40)19-39-9-7-25(8-10-39)38-30-28-16-26(17-32(33,34)35)44-31(28)37-23(4)36-30/h7-8,17,19,24,27,29H,9-16,18,20-22H2,1-6H3,(H,41,42,43);6-7,16,18,23,26,28H,8-15,17,19-21H2,1-5H3,(H,40,47)(H,41,42,43);5-6,15-16,21,24H,7-14,17-19H2,1-4H3,(H,37,38,39);5-6,15-16,21,25H,7-14,17-19H2,1-4H3,(H,36,37,38)/t24-;23-;2*21-/m0000/s1.
What are the key properties of N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2740.51 g/mol, XLogP of 25.74, 37 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-fluoro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide;2-[1-[(2S)-1-[2,4-dimethyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N-methylacetamide;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2,4-dimethylindol-5-yl]methyl]piperidin-4-yl]-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158823870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).