4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C120H121Cl3F15N27OS5 — CID 162223087

About 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 162223087) has the molecular formula C120H121Cl3F15N27OS5 and a molecular weight of 2509.14 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 162223087
• Molecular Formula: C120H121Cl3F15N27OS5
• Molecular Weight: 2509.14 g/mol
• Exact Mass: 2505.77
• IUPAC Name: 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCn1c(C#N)cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.C[C@H](CO)Cn1c(C#N)cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1c[nH]c2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc12.Cc1cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5cc[nH]c5c4)CC3)ncnc2s1
• InChI: InChI=1S/C27H28ClF3N6OS.C25H24ClF3N6S.C23H23ClF3N5S.C23H24F3N5S.C22H22F3N5S/c1-16(14-38)12-37-19(11-32)8-21-23(37)3-2-17(24(21)28)13-36-6-4-18(5-7-36)35-25-22-9-20(10-27(29,30)31)39-26(22)34-15-33-25;1-2-35-17(12-30)9-19-21(35)4-3-15(22(19)26)13-34-7-5-16(6-8-34)33-23-20-10-18(11-25(27,28)29)36-24(20)32-14-31-23;1-13-8-17-19(30-13)3-2-14(20(17)24)11-32-6-4-15(5-7-32)31-21-18-9-16(10-23(25,26)27)33-22(18)29-12-28-21;1-14-11-27-20-8-15(2-3-18(14)20)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;23-22(24,25)11-17-10-18-20(27-13-28-21(18)31-17)29-16-4-7-30(8-5-16)12-14-1-2-15-3-6-26-19(15)9-14/h2-3,8-9,15-16,18,38H,4-7,10,12-14H2,1H3,(H,33,34,35);3-4,9-10,14,16H,2,5-8,11,13H2,1H3,(H,31,32,33);2-3,8-9,12,15,30H,4-7,10-11H2,1H3,(H,28,29,31);2-3,8-9,11,13,16,27H,4-7,10,12H2,1H3,(H,28,29,30);1-3,6,9-10,13,16,26H,4-5,7-8,11-12H2,(H,27,28,29)/t16-;;;;/m0..../s1
• InChIKey: ZUJXBTLPXVNLLI-FXAGWRDUSA-N
• XLogP: 29.68
• TPSA: 330.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2509.14
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 162223087) is 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCn1c(C#N)cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.C[C@H](CO)Cn1c(C#N)cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21.Cc1c[nH]c2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc12.Cc1cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1.FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccc5cc[nH]c5c4)CC3)ncnc2s1.

What is the InChIKey of 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is ZUJXBTLPXVNLLI-FXAGWRDUSA-N. The full InChI is InChI=1S/C27H28ClF3N6OS.C25H24ClF3N6S.C23H23ClF3N5S.C23H24F3N5S.C22H22F3N5S/c1-16(14-38)12-37-19(11-32)8-21-23(37)3-2-17(24(21)28)13-36-6-4-18(5-7-36)35-25-22-9-20(10-27(29,30)31)39-26(22)34-15-33-25;1-2-35-17(12-30)9-19-21(35)4-3-15(22(19)26)13-34-7-5-16(6-8-34)33-23-20-10-18(11-25(27,28)29)36-24(20)32-14-31-23;1-13-8-17-19(30-13)3-2-14(20(17)24)11-32-6-4-15(5-7-32)31-21-18-9-16(10-23(25,26)27)33-22(18)29-12-28-21;1-14-11-27-20-8-15(2-3-18(14)20)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;23-22(24,25)11-17-10-18-20(27-13-28-21(18)31-17)29-16-4-7-30(8-5-16)12-14-1-2-15-3-6-26-19(15)9-14/h2-3,8-9,15-16,18,38H,4-7,10,12-14H2,1H3,(H,33,34,35);3-4,9-10,14,16H,2,5-8,11,13H2,1H3,(H,31,32,33);2-3,8-9,12,15,30H,4-7,10-11H2,1H3,(H,28,29,31);2-3,8-9,11,13,16,27H,4-7,10,12H2,1H3,(H,28,29,30);1-3,6,9-10,13,16,26H,4-5,7-8,11-12H2,(H,27,28,29)/t16-;;;;/m0..../s1.

What are the key properties of 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2509.14 g/mol, XLogP of 29.68, 29 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-ethyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-chloro-1-[(2S)-3-hydroxy-2-methylpropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;N-[1-[(4-chloro-2-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(3-methyl-1H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162223087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).