1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)

C132H129F12IN8O6P4Pd — CID 167627932

About 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)

1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane) (PubChem CID 167627932) has the molecular formula C132H129F12IN8O6P4Pd and a molecular weight of 2508.73 g/mol. Its IUPAC name is 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 167627932
• Molecular Formula: C132H129F12IN8O6P4Pd
• Molecular Weight: 2508.73 g/mol
• Exact Mass: 2506.69
• IUPAC Name: 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)
• SMILES: C#CCNc1ccc(C(F)(F)F)cc1OC.COCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2ccc(C(F)(F)F)cc2OC)n3CC(F)(F)F)CC1.COCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H34F6N4O3.C19H25F3IN3O2.4C18H15P.C11H10F3NO.Pd/c1-42-18-23(41)17-39-13-10-21(11-14-39)38-25-6-3-7-27-24(25)16-22(40(27)19-29(31,32)33)5-4-12-37-26-9-8-20(30(34,35)36)15-28(26)43-2;1-28-11-14(27)10-25-7-5-13(6-8-25)24-16-3-2-4-17-15(16)9-18(23)26(17)12-19(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-15-9-5-4-8(11(12,13)14)7-10(9)16-2;/h3,6-9,15-16,21,23,37-38,41H,10-14,17-19H2,1-2H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1,4-5,7,15H,6H2,2H3
• InChIKey: NJIAHIDWDKVXKZ-UHFFFAOYSA-N
• XLogP: 25.81
• TPSA: 141.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.73
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane) (CID 167627932) is 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane) is C#CCNc1ccc(C(F)(F)F)cc1OC.COCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2ccc(C(F)(F)F)cc2OC)n3CC(F)(F)F)CC1.COCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)?

The InChIKey is NJIAHIDWDKVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F6N4O3.C19H25F3IN3O2.4C18H15P.C11H10F3NO.Pd/c1-42-18-23(41)17-39-13-10-21(11-14-39)38-25-6-3-7-27-24(25)16-22(40(27)19-29(31,32)33)5-4-12-37-26-9-8-20(30(34,35)36)15-28(26)43-2;1-28-11-14(27)10-25-7-5-13(6-8-25)24-16-3-2-4-17-15(16)9-18(23)26(17)12-19(20,21)22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-6-15-9-5-4-8(11(12,13)14)7-10(9)16-2;/h3,6-9,15-16,21,23,37-38,41H,10-14,17-19H2,1-2H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1,4-5,7,15H,6H2,2H3;.

What are the key properties of 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane)?

1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2508.73 g/mol, XLogP of 25.81, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;1-methoxy-3-[4-[[2-[3-[2-methoxy-4-(trifluoromethyl)anilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-methoxy-N-prop-2-ynyl-4-(trifluoromethyl)aniline;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167627932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).