1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

C260H292F24N60O11S12 — CID 160719343

About 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 160719343) has the molecular formula C260H292F24N60O11S12 and a molecular weight of 5274.36 g/mol. Its IUPAC name is 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 Name: 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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: 160719343
• Molecular Formula: C260H292F24N60O11S12
• Molecular Weight: 5274.36 g/mol
• Exact Mass: 5270.04
• IUPAC Name: 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
• SMILES: C=CC(=O)CC1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)C1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)C1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)CC1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)NC1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)NC1CN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1
• InChI: InChI=1S/C34H38F3N7OS.C33H39F3N8OS2.C33H36F3N7O2S.C32H37F3N8O2S2.2C32H37F3N8OS2.C32H34F3N7O2S.C32H34F3N7OS/c1-2-28(45)16-23-5-9-42(10-6-23)13-14-44-27(20-38)17-25-15-24(3-4-31(25)44)21-43-11-7-26(8-12-43)41-32-30-18-29(19-34(35,36)37)46-33(30)40-22-39-32;1-3-47(2,45)41-26-8-10-42(11-9-26)14-15-44-27(20-37)17-24-16-23(4-5-30(24)44)21-43-12-6-25(7-13-43)40-31-29-18-28(19-33(34,35)36)46-32(29)39-22-38-31;1-3-26(44)10-21-17-42(18-21)8-9-43-25(16-37)12-22-11-23(30(45-2)14-29(22)43)19-41-6-4-24(5-7-41)40-31-28-13-27(15-33(34,35)36)46-32(28)39-20-38-31;1-3-47(2,45)42-11-8-40(9-12-42)10-13-43-25(19-36)15-22-14-23(29(44)17-28(22)43)20-41-6-4-24(5-7-41)39-30-27-16-26(18-32(33,34)35)46-31(27)38-21-37-30;1-4-46(3,44)40-24-18-42(19-24)11-12-43-25(16-36)13-27-21(2)22(5-6-29(27)43)17-41-9-7-23(8-10-41)39-30-28-14-26(15-32(33,34)35)45-31(28)38-20-37-30;1-3-46(2,44)42-13-10-40(11-14-42)12-15-43-26(20-36)17-24-16-23(4-5-29(24)43)21-41-8-6-25(7-9-41)39-30-28-18-27(19-32(33,34)35)45-31(28)38-22-37-30;1-2-25(43)9-20-16-41(17-20)7-8-42-24(15-36)11-21-10-22(29(44)13-28(21)42)18-40-5-3-23(4-6-40)39-30-27-12-26(14-32(33,34)35)45-31(27)38-19-37-30;1-2-26(43)12-22-18-41(19-22)9-10-42-25(16-36)13-23-11-21(3-4-29(23)42)17-40-7-5-24(6-8-40)39-30-28-14-27(15-32(33,34)35)44-31(28)38-20-37-30/h2-4,15,17-18,22-23,26H,1,5-14,16,19,21H2,(H,39,40,41);3-5,16-18,22,25-26H,1-2,6-15,19,21H2,(H,41,45)(H,38,39,40);3,11-14,20-21,24H,1,4-10,15,17-19H2,2H3,(H,38,39,40);3,14-17,21,24,44H,1-2,4-13,18,20H2,(H,37,38,39);4-6,13-14,20,23-24H,1,3,7-12,15,17-19H2,2H3,(H,40,44)(H,37,38,39);3-5,16-18,22,25H,1-2,6-15,19,21H2,(H,37,38,39);2,10-13,19-20,23,44H,1,3-9,14,16-18H2,(H,37,38,39);2-4,11,13-14,20,22,24H,1,5-10,12,15,17-19H2,(H,37,38,39)
• InChIKey: RSWWWMPTDXLMPM-UHFFFAOYSA-N
• XLogP: 44.07
• TPSA: 800.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 75
• Rotatable Bonds: 87
• Heavy Atoms: 367
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5274.36
LogP ≤ 5	44.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 160719343) is 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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)CC1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)C1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)C1.C=CC(=O)CC1CN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)CC1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)NC1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)NC1CN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1.

What is the InChIKey of 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 RSWWWMPTDXLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N7OS.C33H39F3N8OS2.C33H36F3N7O2S.C32H37F3N8O2S2.2C32H37F3N8OS2.C32H34F3N7O2S.C32H34F3N7OS/c1-2-28(45)16-23-5-9-42(10-6-23)13-14-44-27(20-38)17-25-15-24(3-4-31(25)44)21-43-11-7-26(8-12-43)41-32-30-18-29(19-34(35,36)37)46-33(30)40-22-39-32;1-3-47(2,45)41-26-8-10-42(11-9-26)14-15-44-27(20-37)17-24-16-23(4-5-30(24)44)21-43-12-6-25(7-13-43)40-31-29-18-28(19-33(34,35)36)46-32(29)39-22-38-31;1-3-26(44)10-21-17-42(18-21)8-9-43-25(16-37)12-22-11-23(30(45-2)14-29(22)43)19-41-6-4-24(5-7-41)40-31-28-13-27(15-33(34,35)36)46-32(28)39-20-38-31;1-3-47(2,45)42-11-8-40(9-12-42)10-13-43-25(19-36)15-22-14-23(29(44)17-28(22)43)20-41-6-4-24(5-7-41)39-30-27-16-26(18-32(33,34)35)46-31(27)38-21-37-30;1-4-46(3,44)40-24-18-42(19-24)11-12-43-25(16-36)13-27-21(2)22(5-6-29(27)43)17-41-9-7-23(8-10-41)39-30-28-14-26(15-32(33,34)35)45-31(28)38-20-37-30;1-3-46(2,44)42-13-10-40(11-14-42)12-15-43-26(20-36)17-24-16-23(4-5-29(24)43)21-41-8-6-25(7-9-41)39-30-28-18-27(19-32(33,34)35)45-31(28)38-22-37-30;1-2-25(43)9-20-16-41(17-20)7-8-42-24(15-36)11-21-10-22(29(44)13-28(21)42)18-40-5-3-23(4-6-40)39-30-27-12-26(14-32(33,34)35)45-31(27)38-19-37-30;1-2-26(43)12-22-18-41(19-22)9-10-42-25(16-36)13-23-11-21(3-4-29(23)42)17-40-7-5-24(6-8-40)39-30-28-14-27(15-32(33,34)35)44-31(28)38-20-37-30/h2-4,15,17-18,22-23,26H,1,5-14,16,19,21H2,(H,39,40,41);3-5,16-18,22,25-26H,1-2,6-15,19,21H2,(H,41,45)(H,38,39,40);3,11-14,20-21,24H,1,4-10,15,17-19H2,2H3,(H,38,39,40);3,14-17,21,24,44H,1-2,4-13,18,20H2,(H,37,38,39);4-6,13-14,20,23-24H,1,3,7-12,15,17-19H2,2H3,(H,40,44)(H,37,38,39);3-5,16-18,22,25H,1-2,6-15,19,21H2,(H,37,38,39);2,10-13,19-20,23,44H,1,3-9,14,16-18H2,(H,37,38,39);2-4,11,13-14,20,22,24H,1,5-10,12,15,17-19H2,(H,37,38,39).

What are the key properties of 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?

1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 5274.36 g/mol, XLogP of 44.07, 87 rotatable bonds, 12 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]azetidin-1-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-[4-[(ethenyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-hydroxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;6-methoxy-1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[3-(2-oxobut-3-enyl)azetidin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[2-[4-(2-oxobut-3-enyl)piperidin-1-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 160719343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).