N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol

C123H127F16N21O3S5 — CID 161011197

About N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol

N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol (PubChem CID 161011197) has the molecular formula C123H127F16N21O3S5 and a molecular weight of 2411.82 g/mol. Its IUPAC name is N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol.

Molecular Properties

• Compound Name: N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol
• PubChem CID: 161011197
• Molecular Formula: C123H127F16N21O3S5
• Molecular Weight: 2411.82 g/mol
• Exact Mass: 2409.88
• IUPAC Name: N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol
• SMILES: C#CC1=Cc2c(ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c2F)C1.CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(C)cc2C1.CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(O)cc2C1.COc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1C=C(C)C2.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CO
• InChI: InChI=1S/C25H22F4N4S.C25H27F3N4OS.C25H27F3N4S.C24H26F3N5OS.C24H25F3N4OS/c1-2-15-9-16-3-4-17(22(26)20(16)10-15)13-33-7-5-18(6-8-33)32-23-21-11-19(12-25(27,28)29)34-24(21)31-14-30-23;1-15-9-16-3-4-17(22(33-2)20(16)10-15)13-32-7-5-18(6-8-32)31-23-21-11-19(12-25(26,27)28)34-24(21)30-14-29-23;1-15-7-17-9-16(2)19(10-18(17)8-15)13-32-5-3-20(4-6-32)31-23-22-11-21(12-25(26,27)28)33-24(22)30-14-29-23;1-15-8-17-9-16(2-3-21(17)32(15)14-33)12-31-6-4-18(5-7-31)30-22-20-10-19(11-24(25,26)27)34-23(20)29-13-28-22;1-14-6-15-8-17(21(32)9-16(15)7-14)12-31-4-2-18(3-5-31)30-22-20-10-19(11-24(25,26)27)33-23(20)29-13-28-22/h1,3-4,10-11,14,18H,5-9,12-13H2,(H,30,31,32);3-4,10-11,14,18H,5-9,12-13H2,1-2H3,(H,29,30,31);8-11,14,20H,3-7,12-13H2,1-2H3,(H,29,30,31);2-3,8-10,13,18,33H,4-7,11-12,14H2,1H3,(H,28,29,30);6,8-10,13,18,32H,2-5,7,11-12H2,1H3,(H,28,29,30)
• InChIKey: TXDFWFMXJZBTPV-UHFFFAOYSA-N
• XLogP: 28.19
• TPSA: 259.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.82
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol?

The IUPAC name of N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol (CID 161011197) is N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol.

What is the SMILES notation for N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol?

The canonical SMILES for N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol is C#CC1=Cc2c(ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c2F)C1.CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(C)cc2C1.CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c(O)cc2C1.COc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1C=C(C)C2.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CO.

What is the InChIKey of N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol?

The InChIKey is TXDFWFMXJZBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4S.C25H27F3N4OS.C25H27F3N4S.C24H26F3N5OS.C24H25F3N4OS/c1-2-15-9-16-3-4-17(22(26)20(16)10-15)13-33-7-5-18(6-8-33)32-23-21-11-19(12-25(27,28)29)34-24(21)31-14-30-23;1-15-9-16-3-4-17(22(33-2)20(16)10-15)13-32-7-5-18(6-8-32)31-23-21-11-19(12-25(26,27)28)34-24(21)30-14-29-23;1-15-7-17-9-16(2)19(10-18(17)8-15)13-32-5-3-20(4-6-32)31-23-22-11-21(12-25(26,27)28)33-24(22)30-14-29-23;1-15-8-17-9-16(2-3-21(17)32(15)14-33)12-31-6-4-18(5-7-31)30-22-20-10-19(11-24(25,26)27)34-23(20)29-13-28-22;1-14-6-15-8-17(21(32)9-16(15)7-14)12-31-4-2-18(3-5-31)30-22-20-10-19(11-24(25,26)27)33-23(20)29-13-28-22/h1,3-4,10-11,14,18H,5-9,12-13H2,(H,30,31,32);3-4,10-11,14,18H,5-9,12-13H2,1-2H3,(H,29,30,31);8-11,14,20H,3-7,12-13H2,1-2H3,(H,29,30,31);2-3,8-10,13,18,33H,4-7,11-12,14H2,1H3,(H,28,29,30);6,8-10,13,18,32H,2-5,7,11-12H2,1H3,(H,28,29,30).

What are the key properties of N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol?

N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol has a molecular weight of 2411.82 g/mol, XLogP of 28.19, 27 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,6-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-4-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(4-methoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-methyl-6-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3H-inden-5-ol;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methanol is sourced from PubChem (CID 161011197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).