[4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C91H92F12N18O2S4 — CID 158982658

About [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

[4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 158982658) has the molecular formula C91H92F12N18O2S4 and a molecular weight of 1826.10 g/mol. Its IUPAC name is [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 158982658
• Molecular Formula: C91H92F12N18O2S4
• Molecular Weight: 1826.10 g/mol
• Exact Mass: 1824.63
• IUPAC Name: [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: C#Cc1nc2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2o1.C=C1Cc2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2N1.CC1=Nc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2C1.OCc1cnc2sc(CC(F)(F)F)cc2c1NC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C23H20F3N5OS.2C23H24F3N5S.C22H24F3N3OS/c1-2-20-30-18-4-3-14(9-19(18)32-20)12-31-7-5-15(6-8-31)29-21-17-10-16(11-23(24,25)26)33-22(17)28-13-27-21;2*1-14-8-16-3-2-15(9-20(16)29-14)12-31-6-4-17(5-7-31)30-21-19-10-18(11-23(24,25)26)32-22(19)28-13-27-21;23-22(24,25)11-18-10-19-20(16(14-29)12-26-21(19)30-18)27-17-6-8-28(9-7-17)13-15-4-2-1-3-5-15/h1,3-4,9-10,13,15H,5-8,11-12H2,(H,27,28,29);2-3,9-10,13,17H,4-8,11-12H2,1H3,(H,27,28,30);2-3,9-10,13,17,29H,1,4-8,11-12H2,(H,27,28,30);1-5,10,12,17,29H,6-9,11,13-14H2,(H,26,27)
• InChIKey: JPEUZNVWPGYSOR-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 221.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.10
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 158982658) is [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-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-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is C#Cc1nc2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2o1.C=C1Cc2ccc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)cc2N1.CC1=Nc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2C1.OCc1cnc2sc(CC(F)(F)F)cc2c1NC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is JPEUZNVWPGYSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5OS.2C23H24F3N5S.C22H24F3N3OS/c1-2-20-30-18-4-3-14(9-19(18)32-20)12-31-7-5-15(6-8-31)29-21-17-10-16(11-23(24,25)26)33-22(17)28-13-27-21;2*1-14-8-16-3-2-15(9-20(16)29-14)12-31-6-4-17(5-7-31)30-21-19-10-18(11-23(24,25)26)32-22(19)28-13-27-21;23-22(24,25)11-18-10-19-20(16(14-29)12-26-21(19)30-18)27-17-6-8-28(9-7-17)13-15-4-2-1-3-5-15/h1,3-4,9-10,13,15H,5-8,11-12H2,(H,27,28,29);2-3,9-10,13,17H,4-8,11-12H2,1H3,(H,27,28,30);2-3,9-10,13,17,29H,1,4-8,11-12H2,(H,27,28,30);1-5,10,12,17,29H,6-9,11,13-14H2,(H,26,27).

What are the key properties of [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

[4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1826.10 g/mol, XLogP of 20.84, 21 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(1-benzylpiperidin-4-yl)amino]-2-(2,2,2-trifluoroethyl)thieno[2,3-b]pyridin-5-yl]methanol;N-[1-[(2-ethynyl-1,3-benzoxazol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methylidene-1,3-dihydroindol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;N-[1-[(2-methyl-3H-indol-6-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158982658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).