N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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

C267H307F24N61O13S12 — CID 161351321

About N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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

N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 161351321) has the molecular formula C267H307F24N61O13S12 and a molecular weight of 5419.56 g/mol. Its IUPAC name is N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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: N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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: 161351321
• Molecular Formula: C267H307F24N61O13S12
• Molecular Weight: 5419.56 g/mol
• Exact Mass: 5415.15
• IUPAC Name: N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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)N1CCCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)NC1CCCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)N[C@@H]1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)C1.C=CC(=O)N[C@@H]1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)C1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)CC1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)CC1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)CC1
• InChI: InChI=1S/C35H41F3N8OS.C34H39F3N8OS.C34H40F3N7O2S2.C33H39F3N8O2S2.C33H37F3N8O2S.C33H38F3N7O2S2.C33H38F3N7OS2.C32H35F3N8O2S/c1-3-32(47)42-25-5-4-11-44(12-8-25)15-16-46-27(20-39)17-29-23(2)24(6-7-31(29)46)21-45-13-9-26(10-14-45)43-33-30-18-28(19-35(36,37)38)48-34(30)41-22-40-33;1-3-31(46)44-10-4-9-42(13-15-44)14-16-45-26(20-38)17-28-23(2)24(5-6-30(28)45)21-43-11-7-25(8-12-43)41-32-29-18-27(19-34(35,36)37)47-33(29)40-22-39-32;1-4-48(3,45)43-12-5-23(6-13-43)7-14-44-27(20-38)16-24-15-25(31(46-2)18-30(24)44)21-42-10-8-26(9-11-42)41-32-29-17-28(19-34(35,36)37)47-33(29)40-22-39-32;1-4-48(3,45)43-12-9-41(10-13-43)11-14-44-26(20-37)16-23-15-24(30(46-2)18-29(23)44)21-42-7-5-25(6-8-42)40-31-28-17-27(19-33(34,35)36)47-32(28)39-22-38-31;1-3-30(45)40-24-6-9-43(19-24)10-11-44-25(17-37)13-21-12-22(29(46-2)15-28(21)44)18-42-7-4-23(5-8-42)41-31-27-14-26(16-33(34,35)36)47-32(27)39-20-38-31;1-3-47(2,45)42-11-4-22(5-12-42)6-13-43-26(19-37)15-23-14-24(30(44)17-29(23)43)20-41-9-7-25(8-10-41)40-31-28-16-27(18-33(34,35)36)46-32(28)39-21-38-31;1-3-46(2,44)42-13-6-23(7-14-42)8-15-43-27(20-37)17-25-16-24(4-5-30(25)43)21-41-11-9-26(10-12-41)40-31-29-18-28(19-33(34,35)36)45-32(29)39-22-38-31;1-2-29(45)39-23-5-8-42(18-23)9-10-43-24(16-36)12-20-11-21(28(44)14-27(20)43)17-41-6-3-22(4-7-41)40-30-26-13-25(15-32(33,34)35)46-31(26)38-19-37-30/h3,6-7,17-18,22,25-26H,1,4-5,8-16,19,21H2,2H3,(H,42,47)(H,40,41,43);3,5-6,17-18,22,25H,1,4,7-16,19,21H2,2H3,(H,39,40,41);4,15-18,22-23,26H,1,3,5-14,19,21H2,2H3,(H,39,40,41);4,15-18,22,25H,1,3,5-14,19,21H2,2H3,(H,38,39,40);3,12-15,20,23-24H,1,4-11,16,18-19H2,2H3,(H,40,45)(H,38,39,41);3,14-17,21-22,25,44H,1-2,4-13,18,20H2,(H,38,39,40);3-5,16-18,22-23,26H,1-2,6-15,19,21H2,(H,38,39,40);2,11-14,19,22-23,44H,1,3-10,15,17-18H2,(H,39,45)(H,37,38,40)/t;;;;24-;;;23-/m....1..1/s1
• InChIKey: VNYSPGZUTIVVCH-SVIUZXQXSA-N
• XLogP: 46.30
• TPSA: 831.36 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 74
• Rotatable Bonds: 82
• Heavy Atoms: 377
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5419.56
LogP ≤ 5	46.30
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	74

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 161351321) is N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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)N1CCCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)NC1CCCN(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)N[C@@H]1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)C1.C=CC(=O)N[C@@H]1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)C1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(O)cc32)CC1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)CC1.C=CS(=C)(=O)N1CCC(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CS(=C)(=O)N1CCN(CCn2c(C#N)cc3cc(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)c(OC)cc32)CC1.

What is the InChIKey of N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 VNYSPGZUTIVVCH-SVIUZXQXSA-N. The full InChI is InChI=1S/C35H41F3N8OS.C34H39F3N8OS.C34H40F3N7O2S2.C33H39F3N8O2S2.C33H37F3N8O2S.C33H38F3N7O2S2.C33H38F3N7OS2.C32H35F3N8O2S/c1-3-32(47)42-25-5-4-11-44(12-8-25)15-16-46-27(20-39)17-29-23(2)24(6-7-31(29)46)21-45-13-9-26(10-14-45)43-33-30-18-28(19-35(36,37)38)48-34(30)41-22-40-33;1-3-31(46)44-10-4-9-42(13-15-44)14-16-45-26(20-38)17-28-23(2)24(5-6-30(28)45)21-43-11-7-25(8-12-43)41-32-29-18-27(19-34(35,36)37)47-33(29)40-22-39-32;1-4-48(3,45)43-12-5-23(6-13-43)7-14-44-27(20-38)16-24-15-25(31(46-2)18-30(24)44)21-42-10-8-26(9-11-42)41-32-29-17-28(19-34(35,36)37)47-33(29)40-22-39-32;1-4-48(3,45)43-12-9-41(10-13-43)11-14-44-26(20-37)16-23-15-24(30(46-2)18-29(23)44)21-42-7-5-25(6-8-42)40-31-28-17-27(19-33(34,35)36)47-32(28)39-22-38-31;1-3-30(45)40-24-6-9-43(19-24)10-11-44-25(17-37)13-21-12-22(29(46-2)15-28(21)44)18-42-7-4-23(5-8-42)41-31-27-14-26(16-33(34,35)36)47-32(27)39-20-38-31;1-3-47(2,45)42-11-4-22(5-12-42)6-13-43-26(19-37)15-23-14-24(30(44)17-29(23)43)20-41-9-7-25(8-10-41)40-31-28-16-27(18-33(34,35)36)46-32(28)39-21-38-31;1-3-46(2,44)42-13-6-23(7-14-42)8-15-43-27(20-37)17-25-16-24(4-5-30(25)43)21-41-11-9-26(10-12-41)40-31-29-18-28(19-33(34,35)36)45-32(29)39-22-38-31;1-2-29(45)39-23-5-8-42(18-23)9-10-43-24(16-36)12-20-11-21(28(44)14-27(20)43)17-41-6-3-22(4-7-41)40-30-26-13-25(15-32(33,34)35)46-31(26)38-19-37-30/h3,6-7,17-18,22,25-26H,1,4-5,8-16,19,21H2,2H3,(H,42,47)(H,40,41,43);3,5-6,17-18,22,25H,1,4,7-16,19,21H2,2H3,(H,39,40,41);4,15-18,22-23,26H,1,3,5-14,19,21H2,2H3,(H,39,40,41);4,15-18,22,25H,1,3,5-14,19,21H2,2H3,(H,38,39,40);3,12-15,20,23-24H,1,4-11,16,18-19H2,2H3,(H,40,45)(H,38,39,41);3,14-17,21-22,25,44H,1-2,4-13,18,20H2,(H,38,39,40);3-5,16-18,22-23,26H,1-2,6-15,19,21H2,(H,38,39,40);2,11-14,19,22-23,44H,1,3-10,15,17-18H2,(H,39,45)(H,37,38,40)/t;;;;24-;;;23-/m....1..1/s1.

What are the key properties of N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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?

N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 5419.56 g/mol, XLogP of 46.30, 82 rotatable bonds, 13 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[2-[2-cyano-6-hydroxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;N-[(3R)-1-[2-[2-cyano-6-methoxy-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]pyrrolidin-3-yl]prop-2-enamide;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]azepan-4-yl]prop-2-enamide;1-[2-[4-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-[1-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-6-methoxy-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-(ethenyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-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-(4-prop-2-enoyl-1,4-diazepan-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 161351321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).