N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile

C168H216F16N36O9S9 — CID 159010167

About N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile

N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile (PubChem CID 159010167) has the molecular formula C168H216F16N36O9S9 and a molecular weight of 3476.39 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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile.

Molecular Properties

• Compound Name: N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile
• PubChem CID: 159010167
• Molecular Formula: C168H216F16N36O9S9
• Molecular Weight: 3476.39 g/mol
• Exact Mass: 3473.48
• IUPAC Name: N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile
• SMILES: C=C1CN([C@@H](C)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5nc(NC)nc6sc(CC(F)(F)F)cc56)CC4)ccc32)CCN1C.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCS(=O)(=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.COc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCC(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.Cc1c(CN2CCC(Nc3nc(CF)nc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(S(C)(=O)=O)CC1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2c(C)c(CC(F)(F)F)sc2n1
• InChI: InChI=1S/C34H42F3N9S.C34H46F3N7O2S2.C34H45F3N6O3S2.C33H40F4N8O2S2.C33H43F3N6O2S2/c1-21-18-45(13-12-43(21)5)22(2)19-46-26(17-38)14-28-23(3)24(6-7-30(28)46)20-44-10-8-25(9-11-44)40-31-29-15-27(16-34(35,36)37)47-32(29)42-33(39-4)41-31;1-21-17-28-23(3)26(7-8-29(28)44(21)19-22(2)42-13-15-43(16-14-42)48(6,45)46)20-41-11-9-27(10-12-41)40-32-31-24(4)30(18-34(35,36)37)47-33(31)39-25(5)38-32;1-21-16-28-23(3)24(6-7-30(28)43(21)19-22(2)42-14-10-27(11-15-42)48(5,44)45)20-41-12-8-25(9-13-41)38-31-29-17-26(18-34(35,36)37)47-32(29)40-33(39-31)46-4;1-21(43-10-12-44(13-11-43)49(3,46)47)19-45-25(18-38)14-27-22(2)23(4-5-29(27)45)20-42-8-6-24(7-9-42)39-31-28-15-26(16-33(35,36)37)48-32(28)41-30(17-34)40-31;1-5-30-38-31(28-17-26(18-33(34,35)36)45-32(28)39-30)37-25-8-10-40(11-9-25)20-24-6-7-29-27(23(24)4)16-21(2)42(29)19-22(3)41-12-14-46(43,44)15-13-41/h6-7,14-15,22,25H,1,8-13,16,18-20H2,2-5H3,(H2,39,40,41,42);7-8,17,22,27H,9-16,18-20H2,1-6H3,(H,38,39,40);6-7,16-17,22,25,27H,8-15,18-20H2,1-5H3,(H,38,39,40);4-5,14-15,21,24H,6-13,16-17,19-20H2,1-3H3,(H,39,40,41);6-7,16-17,22,25H,5,8-15,18-20H2,1-4H3,(H,37,38,39)/t3*22-;21-;22-/m00000/s1
• InChIKey: JSJQMSYEPXWKJS-MNAXUBLBSA-N
• XLogP: 30.14
• TPSA: 461.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 47
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3476.39
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile?

The IUPAC name of N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile (CID 159010167) is N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile.

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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile?

The canonical SMILES for N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile is C=C1CN([C@@H](C)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5nc(NC)nc6sc(CC(F)(F)F)cc56)CC4)ccc32)CCN1C.CCc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCS(=O)(=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.COc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCC(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.Cc1c(CN2CCC(Nc3nc(CF)nc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(S(C)(=O)=O)CC1.Cc1nc(NC2CCN(Cc3ccc4c(cc(C)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2c(C)c(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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile?

The InChIKey is JSJQMSYEPXWKJS-MNAXUBLBSA-N. The full InChI is InChI=1S/C34H42F3N9S.C34H46F3N7O2S2.C34H45F3N6O3S2.C33H40F4N8O2S2.C33H43F3N6O2S2/c1-21-18-45(13-12-43(21)5)22(2)19-46-26(17-38)14-28-23(3)24(6-7-30(28)46)20-44-10-8-25(9-11-44)40-31-29-15-27(16-34(35,36)37)47-32(29)42-33(39-4)41-31;1-21-17-28-23(3)26(7-8-29(28)44(21)19-22(2)42-13-15-43(16-14-42)48(6,45)46)20-41-11-9-27(10-12-41)40-32-31-24(4)30(18-34(35,36)37)47-33(31)39-25(5)38-32;1-21-16-28-23(3)24(6-7-30(28)43(21)19-22(2)42-14-10-27(11-15-42)48(5,44)45)20-41-12-8-25(9-13-41)38-31-29-17-26(18-34(35,36)37)47-32(29)40-33(39-31)46-4;1-21(43-10-12-44(13-11-43)49(3,46)47)19-45-25(18-38)14-27-22(2)23(4-5-29(27)45)20-42-8-6-24(7-9-42)39-31-28-15-26(16-33(35,36)37)48-32(28)41-30(17-34)40-31;1-5-30-38-31(28-17-26(18-33(34,35)36)45-32(28)39-30)37-25-8-10-40(11-9-25)20-24-6-7-29-27(23(24)4)16-21(2)42(29)19-22(3)41-12-14-46(43,44)15-13-41/h6-7,14-15,22,25H,1,8-13,16,18-20H2,2-5H3,(H2,39,40,41,42);7-8,17,22,27H,9-16,18-20H2,1-6H3,(H,38,39,40);6-7,16-17,22,25,27H,8-15,18-20H2,1-5H3,(H,38,39,40);4-5,14-15,21,24H,6-13,16-17,19-20H2,1-3H3,(H,39,40,41);6-7,16-17,22,25H,5,8-15,18-20H2,1-4H3,(H,37,38,39)/t3*22-;21-;22-/m00000/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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile?

N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile has a molecular weight of 3476.39 g/mol, XLogP of 30.14, 47 rotatable bonds, 6 hydrogen bond donors, and 48 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]-2,5-dimethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2,4-dimethyl-1-[(2S)-2-(4-methylsulfonylpiperidin-1-yl)propyl]indol-5-yl]methyl]piperidin-4-yl]-2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[1-[(2S)-2-(1,1-dioxo-1,4-thiazinan-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;5-[[4-[[2-(fluoromethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile;4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methyl-3-methylidenepiperazin-1-yl)propyl]indole-2-carbonitrile is sourced from PubChem (CID 159010167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).