N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

C170H184F15N43OS5 — CID 159189543

About N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (PubChem CID 159189543) has the molecular formula C170H184F15N43OS5 and a molecular weight of 3290.95 g/mol. Its IUPAC name is N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.

Molecular Properties

• Compound Name: N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
• PubChem CID: 159189543
• Molecular Formula: C170H184F15N43OS5
• Molecular Weight: 3290.95 g/mol
• Exact Mass: 3288.40
• IUPAC Name: N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
• SMILES: C=C1CN=C(CNC23CC(Cn4c(C#N)cc5cc(CN6CCC(Nc7ncnc8sc(CC(F)(F)F)cc78)CC6)ccc54)(C2)C3)N1.C=C1NN/C(=N\C23CC(Cn4c(C#N)cc5c(C)c(CN6CCC(Nc7ncnc8sc(CC(F)(F)F)cc78)CC6)ccc54)(C2)C3)N1.CNCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC3CCCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(Nc3cnccn3)(C1)C2
• InChI: InChI=1S/C36H42F3N7S.C34H34F3N9S.C34H36F3N9S.C33H35F3N10S.C33H37F3N8OS/c1-23-24(17-45-11-9-25(10-12-45)43-32-30-14-28(15-36(37,38)39)47-33(30)42-22-41-32)7-8-31-29(23)13-27(16-40)46(31)21-34-18-35(19-34,20-34)44-26-5-3-2-4-6-26;1-21-22(15-45-8-4-23(5-9-45)43-30-27-11-25(12-34(35,36)37)47-31(27)42-20-41-30)2-3-28-26(21)10-24(13-38)46(28)19-32-16-33(17-32,18-32)44-29-14-39-6-7-40-29;1-21-13-39-29(43-21)14-42-33-16-32(17-33,18-33)19-46-25(12-38)9-23-8-22(2-3-28(23)46)15-45-6-4-24(5-7-45)44-30-27-10-26(11-34(35,36)37)47-31(27)41-20-40-30;1-19-21(13-45-7-5-22(6-8-45)41-28-26-10-24(11-33(34,35)36)47-29(26)39-18-38-28)3-4-27-25(19)9-23(12-37)46(27)17-31-14-32(15-31,16-31)42-30-40-20(2)43-44-30;1-20-21(3-4-27-25(20)9-23(12-37)44(27)18-31-15-32(16-31,17-31)42-28(45)13-38-2)14-43-7-5-22(6-8-43)41-29-26-10-24(11-33(34,35)36)46-30(26)40-19-39-29/h7-8,13-14,22,25-26,44H,2-6,9-12,15,17-21H2,1H3,(H,41,42,43);2-3,6-7,10-11,14,20,23H,4-5,8-9,12,15-19H2,1H3,(H,40,44)(H,41,42,43);2-3,8-10,20,24,42H,1,4-7,11,13-19H2,(H,39,43)(H,40,41,44);3-4,9-10,18,22,43H,2,5-8,11,13-17H2,1H3,(H,38,39,41)(H2,40,42,44);3-4,9-10,19,22,38H,5-8,11,13-18H2,1-2H3,(H,42,45)(H,39,40,41)
• InChIKey: KNXKCUFDHXQJGP-UHFFFAOYSA-N
• XLogP: 31.13
• TPSA: 524.69 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3290.95
LogP ≤ 5	31.13
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The IUPAC name of N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (CID 159189543) is N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.

What is the SMILES notation for N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The canonical SMILES for N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is C=C1CN=C(CNC23CC(Cn4c(C#N)cc5cc(CN6CCC(Nc7ncnc8sc(CC(F)(F)F)cc78)CC6)ccc54)(C2)C3)N1.C=C1NN/C(=N\C23CC(Cn4c(C#N)cc5c(C)c(CN6CCC(Nc7ncnc8sc(CC(F)(F)F)cc78)CC6)ccc54)(C2)C3)N1.CNCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC3CCCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(Nc3cnccn3)(C1)C2.

What is the InChIKey of N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

The InChIKey is KNXKCUFDHXQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42F3N7S.C34H34F3N9S.C34H36F3N9S.C33H35F3N10S.C33H37F3N8OS/c1-23-24(17-45-11-9-25(10-12-45)43-32-30-14-28(15-36(37,38)39)47-33(30)42-22-41-32)7-8-31-29(23)13-27(16-40)46(31)21-34-18-35(19-34,20-34)44-26-5-3-2-4-6-26;1-21-22(15-45-8-4-23(5-9-45)43-30-27-11-25(12-34(35,36)37)47-31(27)42-20-41-30)2-3-28-26(21)10-24(13-38)46(28)19-32-16-33(17-32,18-32)44-29-14-39-6-7-40-29;1-21-13-39-29(43-21)14-42-33-16-32(17-33,18-33)19-46-25(12-38)9-23-8-22(2-3-28(23)46)15-45-6-4-24(5-7-45)44-30-27-10-26(11-34(35,36)37)47-31(27)41-20-40-30;1-19-21(13-45-7-5-22(6-8-45)41-28-26-10-24(11-33(34,35)36)47-29(26)39-18-38-28)3-4-27-25(19)9-23(12-37)46(27)17-31-14-32(15-31,16-31)42-30-40-20(2)43-44-30;1-20-21(3-4-27-25(20)9-23(12-37)44(27)18-31-15-32(16-31,17-31)42-28(45)13-38-2)14-43-7-5-22(6-8-43)41-29-26-10-24(11-33(34,35)36)46-30(26)40-19-39-29/h7-8,13-14,22,25-26,44H,2-6,9-12,15,17-21H2,1H3,(H,41,42,43);2-3,6-7,10-11,14,20,23H,4-5,8-9,12,15-19H2,1H3,(H,40,44)(H,41,42,43);2-3,8-10,20,24,42H,1,4-7,11,13-19H2,(H,39,43)(H,40,41,44);3-4,9-10,18,22,43H,2,5-8,11,13-17H2,1H3,(H,38,39,41)(H2,40,42,44);3-4,9-10,19,22,38H,5-8,11,13-18H2,1-2H3,(H,42,45)(H,39,40,41).

What are the key properties of N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile has a molecular weight of 3290.95 g/mol, XLogP of 31.13, 46 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-(methylamino)acetamide;1-[[3-(cyclohexylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[[3-[(5-methylidene-1,4-dihydroimidazol-2-yl)methylamino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-[(5-methylidene-1,2,4-triazolidin-3-ylidene)amino]-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[[3-(pyrazin-2-ylamino)-1-bicyclo[1.1.1]pentanyl]methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 159189543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).