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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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

C207H214F18N44O12S6 — CID 159473154

About 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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

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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 159473154) has the molecular formula C207H214F18N44O12S6 and a molecular weight of 4044.65 g/mol. Its IUPAC name is 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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: 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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: 159473154
• Molecular Formula: C207H214F18N44O12S6
• Molecular Weight: 4044.65 g/mol
• Exact Mass: 4041.55
• IUPAC Name: 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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)N1CCC(O)(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)N1CCCC(O)(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cn1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(O)C1CCN(C=O)CC1
• InChI: InChI=1S/C36H34F3N7O2S.2C35H33F3N8O2S.C35H40F3N7O2S.C34H38F3N7O2S.C32H36F3N7O2S/c1-3-30(47)43-23-7-4-21(5-8-23)31-32(33(31)48)46-25(17-40)14-27-20(2)22(6-9-29(27)46)18-45-12-10-24(11-13-45)44-34-28-15-26(16-36(37,38)39)49-35(28)42-19-41-34;1-3-29(47)43-22-5-6-27(40-16-22)30-31(32(30)48)46-23(15-39)12-25-19(2)20(4-7-28(25)46)17-45-10-8-21(9-11-45)44-33-26-13-24(14-35(36,37)38)49-34(26)42-18-41-33;1-3-29(47)44-28-7-5-20(16-40-28)30-31(32(30)48)46-23(15-39)12-25-19(2)21(4-6-27(25)46)17-45-10-8-22(9-11-45)43-33-26-13-24(14-35(36,37)38)49-34(26)42-18-41-33;1-3-31(46)44-12-4-9-34(47,10-15-44)11-16-45-26(20-39)17-28-23(2)24(5-6-30(28)45)21-43-13-7-25(8-14-43)42-32-29-18-27(19-35(36,37)38)48-33(29)41-22-40-32;1-3-30(45)43-13-8-33(46,9-14-43)10-15-44-25(19-38)16-27-22(2)23(4-5-29(27)44)20-42-11-6-24(7-12-42)41-31-28-17-26(18-34(35,36)37)47-32(28)40-21-39-31;1-20-22(2-3-28-26(20)12-24(15-36)42(28)17-29(44)21-4-8-41(19-43)9-5-21)16-40-10-6-23(7-11-40)39-30-27-13-25(14-32(33,34)35)45-31(27)38-18-37-30/h3-9,14-15,19,24,31-33,48H,1,10-13,16,18H2,2H3,(H,43,47)(H,41,42,44);3-7,12-13,16,18,21,30-32,48H,1,8-11,14,17H2,2H3,(H,43,47)(H,41,42,44);3-7,12-13,16,18,22,30-32,48H,1,8-11,14,17H2,2H3,(H,40,44,47)(H,41,42,43);3,5-6,17-18,22,25,47H,1,4,7-16,19,21H2,2H3,(H,40,41,42);3-5,16-17,21,24,46H,1,6-15,18,20H2,2H3,(H,39,40,41);2-3,12-13,18-19,21,23,29,44H,4-11,14,16-17H2,1H3,(H,37,38,39)
• InChIKey: LWAXJPHPMVPEJX-UHFFFAOYSA-N
• XLogP: 36.78
• TPSA: 714.01 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 56
• Rotatable Bonds: 54
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4044.65
LogP ≤ 5	36.78
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 159473154) is 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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)N1CCC(O)(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)N1CCCC(O)(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)CC1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cn1.C=CC(=O)Nc1ccc(C2C(O)C2n2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC(O)C1CCN(C=O)CC1.

What is the InChIKey of 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 LWAXJPHPMVPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N7O2S.2C35H33F3N8O2S.C35H40F3N7O2S.C34H38F3N7O2S.C32H36F3N7O2S/c1-3-30(47)43-23-7-4-21(5-8-23)31-32(33(31)48)46-25(17-40)14-27-20(2)22(6-9-29(27)46)18-45-12-10-24(11-13-45)44-34-28-15-26(16-36(37,38)39)49-35(28)42-19-41-34;1-3-29(47)43-22-5-6-27(40-16-22)30-31(32(30)48)46-23(15-39)12-25-19(2)20(4-7-28(25)46)17-45-10-8-21(9-11-45)44-33-26-13-24(14-35(36,37)38)49-34(26)42-18-41-33;1-3-29(47)44-28-7-5-20(16-40-28)30-31(32(30)48)46-23(15-39)12-25-19(2)21(4-6-27(25)46)17-45-10-8-22(9-11-45)43-33-26-13-24(14-35(36,37)38)49-34(26)42-18-41-33;1-3-31(46)44-12-4-9-34(47,10-15-44)11-16-45-26(20-39)17-28-23(2)24(5-6-30(28)45)21-43-13-7-25(8-14-43)42-32-29-18-27(19-35(36,37)38)48-33(29)41-22-40-32;1-3-30(45)43-13-8-33(46,9-14-43)10-15-44-25(19-38)16-27-22(2)23(4-5-29(27)44)20-42-11-6-24(7-12-42)41-31-28-17-26(18-34(35,36)37)47-32(28)40-21-39-31;1-20-22(2-3-28-26(20)12-24(15-36)42(28)17-29(44)21-4-8-41(19-43)9-5-21)16-40-10-6-23(7-11-40)39-30-27-13-25(14-32(33,34)35)45-31(27)38-18-37-30/h3-9,14-15,19,24,31-33,48H,1,10-13,16,18H2,2H3,(H,43,47)(H,41,42,44);3-7,12-13,16,18,21,30-32,48H,1,8-11,14,17H2,2H3,(H,43,47)(H,41,42,44);3-7,12-13,16,18,22,30-32,48H,1,8-11,14,17H2,2H3,(H,40,44,47)(H,41,42,43);3,5-6,17-18,22,25,47H,1,4,7-16,19,21H2,2H3,(H,40,41,42);3-5,16-17,21,24,46H,1,6-15,18,20H2,2H3,(H,39,40,41);2-3,12-13,18-19,21,23,29,44H,4-11,14,16-17H2,1H3,(H,37,38,39).

What are the key properties of 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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?

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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 4044.65 g/mol, XLogP of 36.78, 54 rotatable bonds, 15 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-3-hydroxycyclopropyl]phenyl]prop-2-enamide;N-[5-[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]-3-hydroxycyclopropyl]-2-pyridinyl]prop-2-enamide;N-[6-[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]-3-hydroxycyclopropyl]-3-pyridinyl]prop-2-enamide;1-[2-(1-formylpiperidin-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-(4-hydroxy-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-(4-hydroxy-1-prop-2-enoylpiperidin-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 159473154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).