1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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

C208H230F18N42O9S6 — CID 159402802

About 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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 (PubChem CID 159402802) has the molecular formula C208H230F18N42O9S6 and a molecular weight of 3996.78 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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.

Molecular Properties

• Compound Name: 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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
• PubChem CID: 159402802
• Molecular Formula: C208H230F18N42O9S6
• Molecular Weight: 3996.78 g/mol
• Exact Mass: 3993.69
• IUPAC Name: 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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
• SMILES: C=CC(=O)Cc1ccc(C(C)(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1.C=CC(=O)N(CC)C1CN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1.C=CC(=O)N1CCCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1C.CC(=O)N1CCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.CCN1CCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1
• InChI: InChI=1S/C37H37F3N6O2S.C36H36F3N7OS.C35H40F3N7O2S.C34H39F3N8OS.C33H38F3N7O2S.C33H40F3N7OS/c1-4-29(47)15-24-5-8-26(9-6-24)36(3,48)21-46-28(19-41)16-31-23(2)25(7-10-33(31)46)20-45-13-11-27(12-14-45)44-34-32-17-30(18-37(38,39)40)49-35(32)43-22-42-34;1-4-33(47)44-31-7-5-24(15-22(31)2)9-14-46-27(19-40)16-29-23(3)25(6-8-32(29)46)20-45-12-10-26(11-13-45)43-34-30-17-28(18-36(37,38)39)48-35(30)42-21-41-34;1-3-32(47)44-11-4-5-23(8-14-44)31(46)20-45-26(18-39)15-28-22(2)24(6-7-30(28)45)19-43-12-9-25(10-13-43)42-33-29-16-27(17-35(36,37)38)48-34(29)41-21-40-33;1-4-31(46)44(5-2)26-19-43(20-26)12-13-45-25(17-38)14-28-22(3)23(6-7-30(28)45)18-42-10-8-24(9-11-42)41-32-29-15-27(16-34(35,36)37)47-33(29)40-21-39-32;1-20-23(3-4-29-27(20)13-25(16-37)43(29)18-30(45)22-5-11-42(12-6-22)21(2)44)17-41-9-7-24(8-10-41)40-31-28-14-26(15-33(34,35)36)46-32(28)39-19-38-31;1-3-41-10-6-22(7-11-41)30(44)19-43-25(17-37)14-27-21(2)23(4-5-29(27)43)18-42-12-8-24(9-13-42)40-31-28-15-26(16-33(34,35)36)45-32(28)39-20-38-31/h4-10,16-17,22,27,48H,1,11-15,18,20-21H2,2-3H3,(H,42,43,44);4-8,15-17,21,26H,1,9-14,18,20H2,2-3H3,(H,44,47)(H,41,42,43);3,6-7,15-16,21,23,25,31,46H,1,4-5,8-14,17,19-20H2,2H3,(H,40,41,42);4,6-7,14-15,21,24,26H,1,5,8-13,16,18-20H2,2-3H3,(H,39,40,41);3-4,13-14,19,22,24,30,45H,5-12,15,17-18H2,1-2H3,(H,38,39,40);4-5,14-15,20,22,24,30,44H,3,6-13,16,18-19H2,1-2H3,(H,38,39,40)
• InChIKey: LNOHAGRZRXNTLD-UHFFFAOYSA-N
• XLogP: 38.53
• TPSA: 613.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 53
• Rotatable Bonds: 58
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3996.78
LogP ≤ 5	38.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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?

The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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 (CID 159402802) is 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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.

What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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?

The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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 is C=CC(=O)Cc1ccc(C(C)(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1.C=CC(=O)N(CC)C1CN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)C1.C=CC(=O)N1CCCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1C.CC(=O)N1CCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.CCN1CCC(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.

What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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?

The InChIKey is LNOHAGRZRXNTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N6O2S.C36H36F3N7OS.C35H40F3N7O2S.C34H39F3N8OS.C33H38F3N7O2S.C33H40F3N7OS/c1-4-29(47)15-24-5-8-26(9-6-24)36(3,48)21-46-28(19-41)16-31-23(2)25(7-10-33(31)46)20-45-13-11-27(12-14-45)44-34-32-17-30(18-37(38,39)40)49-35(32)43-22-42-34;1-4-33(47)44-31-7-5-24(15-22(31)2)9-14-46-27(19-40)16-29-23(3)25(6-8-32(29)46)20-45-12-10-26(11-13-45)43-34-30-17-28(18-36(37,38)39)48-35(30)42-21-41-34;1-3-32(47)44-11-4-5-23(8-14-44)31(46)20-45-26(18-39)15-28-22(2)24(6-7-30(28)45)19-43-12-9-25(10-13-43)42-33-29-16-27(17-35(36,37)38)48-34(29)41-21-40-33;1-4-31(46)44(5-2)26-19-43(20-26)12-13-45-25(17-38)14-28-22(3)23(6-7-30(28)45)18-42-10-8-24(9-11-42)41-32-29-15-27(16-34(35,36)37)47-33(29)40-21-39-32;1-20-23(3-4-29-27(20)13-25(16-37)43(29)18-30(45)22-5-11-42(12-6-22)21(2)44)17-41-9-7-24(8-10-41)40-31-28-14-26(15-33(34,35)36)46-32(28)39-19-38-31;1-3-41-10-6-22(7-11-41)30(44)19-43-25(17-37)14-27-21(2)23(4-5-29(27)43)18-42-12-8-24(9-13-42)40-31-28-15-26(16-33(34,35)36)45-32(28)39-20-38-31/h4-10,16-17,22,27,48H,1,11-15,18,20-21H2,2-3H3,(H,42,43,44);4-8,15-17,21,26H,1,9-14,18,20H2,2-3H3,(H,44,47)(H,41,42,43);3,6-7,15-16,21,23,25,31,46H,1,4-5,8-14,17,19-20H2,2H3,(H,40,41,42);4,6-7,14-15,21,24,26H,1,5,8-13,16,18-20H2,2-3H3,(H,39,40,41);3-4,13-14,19,22,24,30,45H,5-12,15,17-18H2,1-2H3,(H,38,39,40);4-5,14-15,20,22,24,30,44H,3,6-13,16,18-19H2,1-2H3,(H,38,39,40).

What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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 has a molecular weight of 3996.78 g/mol, XLogP of 38.53, 58 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-acetylpiperidin-4-yl)-2-hydroxyethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[2-[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]ethyl]azetidin-3-yl]-N-ethylprop-2-enamide;N-[4-[2-[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]ethyl]-2-methylphenyl]prop-2-enamide;1-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-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-hydroxy-2-[4-(2-oxobut-3-enyl)phenyl]propyl]-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-hydroxy-2-(1-prop-2-enoylazepan-4-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 is sourced from PubChem (CID 159402802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).