N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C132H130F16N34O2S5 — CID 159487578

About N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159487578) has the molecular formula C132H130F16N34O2S5 and a molecular weight of 2689.03 g/mol. Its IUPAC name is N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159487578
• Molecular Formula: C132H130F16N34O2S5
• Molecular Weight: 2689.03 g/mol
• Exact Mass: 2686.95
• IUPAC Name: N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: C#Cc1cc2c(F)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC(N)=O.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CCn1ccnn1.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CCn1cncn1.CC(=O)NCCn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1ccc2c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c[nH]c2c1
• InChI: InChI=1S/2C28H27F3N8S.C27H28F3N7OS.C26H24F4N6OS.C23H24F3N5S/c1-2-22-14-20-13-19(3-4-25(20)39(22)12-11-38-10-7-34-36-38)17-37-8-5-21(6-9-37)35-26-24-15-23(16-28(29,30)31)40-27(24)33-18-32-26;1-2-22-12-20-11-19(3-4-25(20)39(22)10-9-38-18-32-16-35-38)15-37-7-5-21(6-8-37)36-26-24-13-23(14-28(29,30)31)40-27(24)34-17-33-26;1-17(38)32-6-9-37-21(14-31)11-19-10-18(2-3-24(19)37)15-36-7-4-20(5-8-36)35-25-23-12-22(13-27(28,29)30)39-26(23)34-16-33-25;1-2-17-9-19-21(36(17)13-22(31)37)4-3-15(23(19)27)12-35-7-5-16(6-8-35)34-24-20-10-18(11-26(28,29)30)38-25(20)33-14-32-24;1-14-2-3-18-15(11-27-20(18)8-14)12-31-6-4-16(5-7-31)30-21-19-9-17(10-23(24,25)26)32-22(19)29-13-28-21/h1,3-4,7,10,13-15,18,21H,5-6,8-9,11-12,16-17H2,(H,32,33,35);1,3-4,11-13,16-18,21H,5-10,14-15H2,(H,33,34,36);2-3,10-12,16,20H,4-9,13,15H2,1H3,(H,32,38)(H,33,34,35);1,3-4,9-10,14,16H,5-8,11-13H2,(H2,31,37)(H,32,33,34);2-3,8-9,11,13,16,27H,4-7,10,12H2,1H3,(H,28,29,30)
• InChIKey: LXTSNNPDTFTQGD-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 398.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2689.03
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159487578) is N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is C#Cc1cc2c(F)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC(N)=O.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CCn1ccnn1.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CCn1cncn1.CC(=O)NCCn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1ccc2c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c[nH]c2c1.

What is the InChIKey of N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is LXTSNNPDTFTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27F3N8S.C27H28F3N7OS.C26H24F4N6OS.C23H24F3N5S/c1-2-22-14-20-13-19(3-4-25(20)39(22)12-11-38-10-7-34-36-38)17-37-8-5-21(6-9-37)35-26-24-15-23(16-28(29,30)31)40-27(24)33-18-32-26;1-2-22-12-20-11-19(3-4-25(20)39(22)10-9-38-18-32-16-35-38)15-37-7-5-21(6-8-37)36-26-24-13-23(14-28(29,30)31)40-27(24)34-17-33-26;1-17(38)32-6-9-37-21(14-31)11-19-10-18(2-3-24(19)37)15-36-7-4-20(5-8-36)35-25-23-12-22(13-27(28,29)30)39-26(23)34-16-33-25;1-2-17-9-19-21(36(17)13-22(31)37)4-3-15(23(19)27)12-35-7-5-16(6-8-35)34-24-20-10-18(11-26(28,29)30)38-25(20)33-14-32-24;1-14-2-3-18-15(11-27-20(18)8-14)12-31-6-4-16(5-7-31)30-21-19-9-17(10-23(24,25)26)32-22(19)29-13-28-21/h1,3-4,7,10,13-15,18,21H,5-6,8-9,11-12,16-17H2,(H,32,33,35);1,3-4,11-13,16-18,21H,5-10,14-15H2,(H,33,34,36);2-3,10-12,16,20H,4-9,13,15H2,1H3,(H,32,38)(H,33,34,35);1,3-4,9-10,14,16H,5-8,11-13H2,(H2,31,37)(H,32,33,34);2-3,8-9,11,13,16,27H,4-7,10,12H2,1H3,(H,28,29,30).

What are the key properties of N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2689.03 g/mol, XLogP of 25.13, 36 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]acetamide;2-[2-ethynyl-4-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;N-[1-[[2-ethynyl-1-[2-(1,2,4-triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[[2-ethynyl-1-[2-(triazol-1-yl)ethyl]indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159487578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).