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-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide

C218H220F18N46O10S6 — CID 159873464

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-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-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide (PubChem CID 159873464) has the molecular formula C218H220F18N46O10S6 and a molecular weight of 4178.84 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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide.

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide
• PubChem CID: 159873464
• Molecular Formula: C218H220F18N46O10S6
• Molecular Weight: 4178.84 g/mol
• Exact Mass: 4175.62
• 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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(C2(O)CC(n3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)ccn1.C=CC(=O)Nc1cc(C2CC(O)(n3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)ccn1.C=CC(=O)Nc1ccc(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1CC.C=CC(=O)Nc1ccc(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1CC.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1CC.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1CC
• InChI: InChI=1S/C37H38F3N7O2S.C37H38F3N7OS.2C36H35F3N8O2S.C36H37F3N8O2S.C36H37F3N8OS/c1-4-23-14-24(6-8-31(23)45-34(49)5-2)33(48)20-47-27(18-41)15-29-22(3)25(7-9-32(29)47)19-46-12-10-26(11-13-46)44-35-30-16-28(17-37(38,39)40)50-36(30)43-21-42-35;1-4-25-16-24(6-8-32(25)45-34(48)5-2)10-15-47-28(20-41)17-30-23(3)26(7-9-33(30)47)21-46-13-11-27(12-14-46)44-35-31-18-29(19-37(38,39)40)49-36(31)43-22-42-35;1-3-32(48)45-31-12-22(6-9-41-31)24-15-35(49,16-24)47-26(18-40)13-28-21(2)23(4-5-30(28)47)19-46-10-7-25(8-11-46)44-33-29-14-27(17-36(37,38)39)50-34(29)43-20-42-33;1-3-32(48)45-31-12-23(6-9-41-31)35(49)15-26(16-35)47-25(18-40)13-28-21(2)22(4-5-30(28)47)19-46-10-7-24(8-11-46)44-33-29-14-27(17-36(37,38)39)50-34(29)43-20-42-33;1-4-28-29(45-33(49)5-2)7-8-30(44-28)32(48)19-47-24(17-40)14-26-21(3)22(6-9-31(26)47)18-46-12-10-23(11-13-46)43-34-27-15-25(16-36(37,38)39)50-35(27)42-20-41-34;1-4-30-31(45-33(48)5-2)8-7-24(43-30)12-15-47-26(19-40)16-28-22(3)23(6-9-32(28)47)20-46-13-10-25(11-14-46)44-34-29-17-27(18-36(37,38)39)49-35(29)42-21-41-34/h5-9,14-16,21,26,33,48H,2,4,10-13,17,19-20H2,1,3H3,(H,45,49)(H,42,43,44);5-9,16-18,22,27H,2,4,10-15,19,21H2,1,3H3,(H,45,48)(H,42,43,44);3-6,9,12-14,20,24-25,49H,1,7-8,10-11,15-17,19H2,2H3,(H,41,45,48)(H,42,43,44);3-6,9,12-14,20,24,26,49H,1,7-8,10-11,15-17,19H2,2H3,(H,41,45,48)(H,42,43,44);5-9,14-15,20,23,32,48H,2,4,10-13,16,18-19H2,1,3H3,(H,45,49)(H,41,42,43);5-9,16-17,21,25H,2,4,10-15,18,20H2,1,3H3,(H,45,48)(H,41,42,44)
• InChIKey: NSPIXNNFRMQPQH-UHFFFAOYSA-N
• XLogP: 43.02
• TPSA: 725.70 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 56
• Rotatable Bonds: 62
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4178.84
LogP ≤ 5	43.02
H-Bond Donors ≤ 5	16
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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide?

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide (CID 159873464) 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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide.

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide?

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(C2(O)CC(n3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)ccn1.C=CC(=O)Nc1cc(C2CC(O)(n3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)C2)ccn1.C=CC(=O)Nc1ccc(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1CC.C=CC(=O)Nc1ccc(C(O)Cn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1CC.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)cc1CC.C=CC(=O)Nc1ccc(CCn2c(C#N)cc3c(C)c(CN4CCC(Nc5ncnc6sc(CC(F)(F)F)cc56)CC4)ccc32)nc1CC.

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide?

The InChIKey is NSPIXNNFRMQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F3N7O2S.C37H38F3N7OS.2C36H35F3N8O2S.C36H37F3N8O2S.C36H37F3N8OS/c1-4-23-14-24(6-8-31(23)45-34(49)5-2)33(48)20-47-27(18-41)15-29-22(3)25(7-9-32(29)47)19-46-12-10-26(11-13-46)44-35-30-16-28(17-37(38,39)40)50-36(30)43-21-42-35;1-4-25-16-24(6-8-32(25)45-34(48)5-2)10-15-47-28(20-41)17-30-23(3)26(7-9-33(30)47)21-46-13-11-27(12-14-46)44-35-31-18-29(19-37(38,39)40)49-36(31)43-22-42-35;1-3-32(48)45-31-12-22(6-9-41-31)24-15-35(49,16-24)47-26(18-40)13-28-21(2)23(4-5-30(28)47)19-46-10-7-25(8-11-46)44-33-29-14-27(17-36(37,38)39)50-34(29)43-20-42-33;1-3-32(48)45-31-12-23(6-9-41-31)35(49)15-26(16-35)47-25(18-40)13-28-21(2)22(4-5-30(28)47)19-46-10-7-24(8-11-46)44-33-29-14-27(17-36(37,38)39)50-34(29)43-20-42-33;1-4-28-29(45-33(49)5-2)7-8-30(44-28)32(48)19-47-24(17-40)14-26-21(3)22(6-9-31(26)47)18-46-12-10-23(11-13-46)43-34-27-15-25(16-36(37,38)39)50-35(27)42-20-41-34;1-4-30-31(45-33(48)5-2)8-7-24(43-30)12-15-47-26(19-40)16-28-22(3)23(6-9-32(28)47)20-46-13-10-25(11-14-46)44-34-29-17-27(18-36(37,38)39)49-35(29)42-21-41-34/h5-9,14-16,21,26,33,48H,2,4,10-13,17,19-20H2,1,3H3,(H,45,49)(H,42,43,44);5-9,16-18,22,27H,2,4,10-15,19,21H2,1,3H3,(H,45,48)(H,42,43,44);3-6,9,12-14,20,24-25,49H,1,7-8,10-11,15-17,19H2,2H3,(H,41,45,48)(H,42,43,44);3-6,9,12-14,20,24,26,49H,1,7-8,10-11,15-17,19H2,2H3,(H,41,45,48)(H,42,43,44);5-9,14-15,20,23,32,48H,2,4,10-13,16,18-19H2,1,3H3,(H,45,49)(H,41,42,43);5-9,16-17,21,25H,2,4,10-15,18,20H2,1,3H3,(H,45,48)(H,41,42,44).

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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-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-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide has a molecular weight of 4178.84 g/mol, XLogP of 43.02, 62 rotatable bonds, 16 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]ethyl]-2-ethylphenyl]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]ethyl]-2-ethyl-3-pyridinyl]prop-2-enamide;N-[4-[3-[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]-1-hydroxycyclobutyl]-2-pyridinyl]prop-2-enamide;N-[4-[3-[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-hydroxycyclobutyl]-2-pyridinyl]prop-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]-1-hydroxyethyl]-2-ethylphenyl]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]-1-hydroxyethyl]-2-ethyl-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 159873464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).