N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide

C103H104F14N20O3S4 — CID 160541955

About N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide

N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide (PubChem CID 160541955) has the molecular formula C103H104F14N20O3S4 and a molecular weight of 2064.34 g/mol. Its IUPAC name is N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide
• PubChem CID: 160541955
• Molecular Formula: C103H104F14N20O3S4
• Molecular Weight: 2064.34 g/mol
• Exact Mass: 2062.73
• IUPAC Name: N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide
• SMILES: C#CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc(F)c2C1.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc(F)c2n1CC(N)=O.CCOc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1C=C(C)C2.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1C(C)C(N)=O
• InChI: InChI=1S/C26H24F4N6OS.C26H29F3N6OS.C26H29F3N4OS.C25H22F4N4S/c1-2-18-9-16-7-15(8-21(27)23(16)36(18)13-22(31)37)12-35-5-3-17(4-6-35)34-24-20-10-19(11-26(28,29)30)38-25(20)33-14-32-24;1-15-9-18-10-17(3-4-22(18)35(15)16(2)23(30)36)13-34-7-5-19(6-8-34)33-24-21-11-20(12-26(27,28)29)37-25(21)32-14-31-24;1-3-34-23-18(5-4-17-10-16(2)11-21(17)23)14-33-8-6-19(7-9-33)32-24-22-12-20(13-26(27,28)29)35-25(22)31-15-30-24;1-2-15-7-17-8-16(10-22(26)20(17)9-15)13-33-5-3-18(4-6-33)32-23-21-11-19(12-25(27,28)29)34-24(21)31-14-30-23/h1,7-10,14,17H,3-6,11-13H2,(H2,31,37)(H,32,33,34);3-4,9-11,14,16,19H,5-8,12-13H2,1-2H3,(H2,30,36)(H,31,32,33);4-5,11-12,15,19H,3,6-10,13-14H2,1-2H3,(H,30,31,32);1,7-8,10-11,14,18H,3-6,9,12-13H2,(H,30,31,32)
• InChIKey: QWXATGQOBANBSM-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 269.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.34
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide?

The IUPAC name of N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide (CID 160541955) is N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide.

What is the SMILES notation for N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide?

The canonical SMILES for N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide is C#CC1=Cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc(F)c2C1.C#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc(F)c2n1CC(N)=O.CCOc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1C=C(C)C2.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1C(C)C(N)=O.

What is the InChIKey of N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide?

The InChIKey is QWXATGQOBANBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6OS.C26H29F3N6OS.C26H29F3N4OS.C25H22F4N4S/c1-2-18-9-16-7-15(8-21(27)23(16)36(18)13-22(31)37)12-35-5-3-17(4-6-35)34-24-20-10-19(11-26(28,29)30)38-25(20)33-14-32-24;1-15-9-18-10-17(3-4-22(18)35(15)16(2)23(30)36)13-34-7-5-19(6-8-34)33-24-21-11-20(12-26(27,28)29)37-25(21)32-14-31-24;1-3-34-23-18(5-4-17-10-16(2)11-21(17)23)14-33-8-6-19(7-9-33)32-24-22-12-20(13-26(27,28)29)35-25(22)31-15-30-24;1-2-15-7-17-8-16(10-22(26)20(17)9-15)13-33-5-3-18(4-6-33)32-23-21-11-19(12-25(27,28)29)34-24(21)31-14-30-23/h1,7-10,14,17H,3-6,11-13H2,(H2,31,37)(H,32,33,34);3-4,9-11,14,16,19H,5-8,12-13H2,1-2H3,(H2,30,36)(H,31,32,33);4-5,11-12,15,19H,3,6-10,13-14H2,1-2H3,(H,30,31,32);1,7-8,10-11,14,18H,3-6,9,12-13H2,(H,30,31,32).

What are the key properties of N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide?

N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide has a molecular weight of 2064.34 g/mol, XLogP of 21.43, 26 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-ethoxy-2-methyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-ethynyl-7-fluoro-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;2-[2-ethynyl-7-fluoro-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]acetamide;2-[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 160541955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).