bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

C276H316F24N60O4S8 — CID 159223886

IUPACbis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
SMILESC=CC(=O)N1CC2(CCN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCC2(CC1)CN(CCn1c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc31)C2.C=CC(=O)N1CCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CCC2(CCC2)C1
InChIInChI=1S/2C36H41F3N8OS.2C35H39F3N8OS.2C34H40F3N7S.2C33H38F3N7S/c1-3-32(48)46-10-4-9-35(22-46)20-45(21-35)13-14-47-27(18-40)15-29-24(2)25(5-6-31(29)47)19-44-11-7-26(8-12-44)43-33-30-16-28(17-36(37,38)39)49-34(30)42-23-41-33;1-3-32(48)46-12-8-35(9-13-46)21-45(22-35)14-15-47-27(19-40)16-29-24(2)25(4-5-31(29)47)20-44-10-6-26(7-11-44)43-33-30-17-28(18-36(37,38)39)49-34(30)42-23-41-33;1-3-31(47)45-11-8-34(21-45)19-44(20-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;1-3-31(47)45-20-34(21-45)8-11-44(19-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;2*1-23-24(5-6-30-28(23)15-26(18-38)44(30)14-13-43-20-33(21-43)9-3-2-4-10-33)19-42-11-7-25(8-12-42)41-31-29-16-27(17-34(35,36)37)45-32(29)40-22-39-31;1-22-23(3-4-29-27(22)15-25(18-37)43(29)14-13-42-12-9-32(20-42)7-2-8-32)19-41-10-5-24(6-11-41)40-30-28-16-26(17-33(34,35)36)44-31(28)39-21-38-30;1-22-23(4-5-29-27(22)14-25(17-37)43(29)13-12-42-19-32(20-42)8-2-3-9-32)18-41-10-6-24(7-11-41)40-30-28-15-26(16-33(34,35)36)44-31(28)39-21-38-30/h3,5-6,15-16,23,26H,1,4,7-14,17,19-22H2,2H3,(H,41,42,43);3-5,16-17,23,26H,1,6-15,18,20-22H2,2H3,(H,41,42,43);2*3-5,14-15,22,25H,1,6-13,16,18-21H2,2H3,(H,40,41,42);2*5-6,15-16,22,25H,2-4,7-14,17,19-21H2,1H3,(H,39,40,41);3-4,15-16,21,24H,2,5-14,17,19-20H2,1H3,(H,38,39,40);4-5,14-15,21,24H,2-3,6-13,16,18-20H2,1H3,(H,38,39,40)
InChIKeyKSAPPJYQPNQXLD-UHFFFAOYSA-N
MW5250.47 g/mol
LogP52.00
Rot. Bonds68

About bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (PubChem CID 159223886) has the molecular formula C276H316F24N60O4S8 and a molecular weight of 5250.47 g/mol. Its IUPAC name is bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 Namebis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
PubChem CID159223886
Molecular FormulaC276H316F24N60O4S8
Molecular Weight5250.47 g/mol
Exact Mass5246.38
IUPAC Namebis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
SMILESC=CC(=O)N1CC2(CCN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCC2(CC1)CN(CCn1c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc31)C2.C=CC(=O)N1CCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CCC2(CCC2)C1
InChIInChI=1S/2C36H41F3N8OS.2C35H39F3N8OS.2C34H40F3N7S.2C33H38F3N7S/c1-3-32(48)46-10-4-9-35(22-46)20-45(21-35)13-14-47-27(18-40)15-29-24(2)25(5-6-31(29)47)19-44-11-7-26(8-12-44)43-33-30-16-28(17-36(37,38)39)49-34(30)42-23-41-33;1-3-32(48)46-12-8-35(9-13-46)21-45(22-35)14-15-47-27(19-40)16-29-24(2)25(4-5-31(29)47)20-44-10-6-26(7-11-44)43-33-30-17-28(18-36(37,38)39)49-34(30)42-23-41-33;1-3-31(47)45-11-8-34(21-45)19-44(20-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;1-3-31(47)45-20-34(21-45)8-11-44(19-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;2*1-23-24(5-6-30-28(23)15-26(18-38)44(30)14-13-43-20-33(21-43)9-3-2-4-10-33)19-42-11-7-25(8-12-42)41-31-29-16-27(17-34(35,36)37)45-32(29)40-22-39-31;1-22-23(3-4-29-27(22)15-25(18-37)43(29)14-13-42-12-9-32(20-42)7-2-8-32)19-41-10-5-24(6-11-41)40-30-28-16-26(17-33(34,35)36)44-31(28)39-21-38-30;1-22-23(4-5-29-27(22)14-25(17-37)43(29)13-12-42-19-32(20-42)8-2-3-9-32)18-41-10-6-24(7-11-41)40-30-28-15-26(16-33(34,35)36)44-31(28)39-21-38-30/h3,5-6,15-16,23,26H,1,4,7-14,17,19-22H2,2H3,(H,41,42,43);3-5,16-17,23,26H,1,6-15,18,20-22H2,2H3,(H,41,42,43);2*3-5,14-15,22,25H,1,6-13,16,18-21H2,2H3,(H,40,41,42);2*5-6,15-16,22,25H,2-4,7-14,17,19-21H2,1H3,(H,39,40,41);3-4,15-16,21,24H,2,5-14,17,19-20H2,1H3,(H,38,39,40);4-5,14-15,21,24H,2-3,6-13,16,18-20H2,1H3,(H,38,39,40)
InChIKeyKSAPPJYQPNQXLD-UHFFFAOYSA-N
XLogP52.00
TPSA665.32 Ų
H-Bond Donors8
H-Bond Acceptors68
Rotatable Bonds68
Heavy Atoms372
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005250.47
LogP ≤ 552.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1068

Analyze bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile with MolForge

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What is the IUPAC name of bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (CID 159223886) is bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is C=CC(=O)N1CC2(CCN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCC2(CC1)CN(CCn1c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc31)C2.C=CC(=O)N1CCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.C=CC(=O)N1CCCC2(CN(CCn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CC2(CCCCC2)C1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCN1CCC2(CCC2)C1.
What is the InChIKey of bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 KSAPPJYQPNQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H41F3N8OS.2C35H39F3N8OS.2C34H40F3N7S.2C33H38F3N7S/c1-3-32(48)46-10-4-9-35(22-46)20-45(21-35)13-14-47-27(18-40)15-29-24(2)25(5-6-31(29)47)19-44-11-7-26(8-12-44)43-33-30-16-28(17-36(37,38)39)49-34(30)42-23-41-33;1-3-32(48)46-12-8-35(9-13-46)21-45(22-35)14-15-47-27(19-40)16-29-24(2)25(4-5-31(29)47)20-44-10-6-26(7-11-44)43-33-30-17-28(18-36(37,38)39)49-34(30)42-23-41-33;1-3-31(47)45-11-8-34(21-45)19-44(20-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;1-3-31(47)45-20-34(21-45)8-11-44(19-34)12-13-46-26(17-39)14-28-23(2)24(4-5-30(28)46)18-43-9-6-25(7-10-43)42-32-29-15-27(16-35(36,37)38)48-33(29)41-22-40-32;2*1-23-24(5-6-30-28(23)15-26(18-38)44(30)14-13-43-20-33(21-43)9-3-2-4-10-33)19-42-11-7-25(8-12-42)41-31-29-16-27(17-34(35,36)37)45-32(29)40-22-39-31;1-22-23(3-4-29-27(22)15-25(18-37)43(29)14-13-42-12-9-32(20-42)7-2-8-32)19-41-10-5-24(6-11-41)40-30-28-16-26(17-33(34,35)36)44-31(28)39-21-38-30;1-22-23(4-5-29-27(22)14-25(17-37)43(29)13-12-42-19-32(20-42)8-2-3-9-32)18-41-10-6-24(7-11-41)40-30-28-15-26(16-33(34,35)36)44-31(28)39-21-38-30/h3,5-6,15-16,23,26H,1,4,7-14,17,19-22H2,2H3,(H,41,42,43);3-5,16-17,23,26H,1,6-15,18,20-22H2,2H3,(H,41,42,43);2*3-5,14-15,22,25H,1,6-13,16,18-21H2,2H3,(H,40,41,42);2*5-6,15-16,22,25H,2-4,7-14,17,19-21H2,1H3,(H,39,40,41);3-4,15-16,21,24H,2,5-14,17,19-20H2,1H3,(H,38,39,40);4-5,14-15,21,24H,2-3,6-13,16,18-20H2,1H3,(H,38,39,40).
What are the key properties of bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 5250.47 g/mol, XLogP of 52.00, 68 rotatable bonds, 8 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2-(2-azaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-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-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-4-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(8-prop-2-enoyl-2,8-diazaspiro[3.5]nonan-2-yl)ethyl]-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-[2-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-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-[2-(7-prop-2-enoyl-2,7-diazaspiro[3.4]octan-2-yl)ethyl]-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 159223886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).