1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)

C132H133F8IN8O10P4PdS2 — CID 167589676

IUPAC1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)
SMILESC#CCNc1cc(F)c(S(C)(=O)=O)cc1OC.COCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2cc(F)c(S(C)(=O)=O)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
InChIInChI=1S/C30H36F4N4O5S.C19H25F3IN3O2.4C18H15P.C11H12FNO3S.Pd/c1-42-18-22(39)17-37-12-9-20(10-13-37)36-25-7-4-8-27-23(25)14-21(38(27)19-30(32,33)34)6-5-11-35-26-15-24(31)29(44(3,40)41)16-28(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;1-4-5-13-9-6-8(12)11(17(3,14)15)7-10(9)16-2;/h4,7-8,14-16,20,22,35-36,39H,9-13,17-19H2,1-3H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1,6-7,13H,5H2,2-3H3;
InChIKeyIGRLUWFIDLTVOF-UHFFFAOYSA-N
MW2564.90 g/mol
LogP22.85
Rot. Bonds34

About 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)

1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) (PubChem CID 167589676) has the molecular formula C132H133F8IN8O10P4PdS2 and a molecular weight of 2564.90 g/mol. Its IUPAC name is 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)
PubChem CID167589676
Molecular FormulaC132H133F8IN8O10P4PdS2
Molecular Weight2564.90 g/mol
Exact Mass2562.65
IUPAC Name1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)
SMILESC#CCNc1cc(F)c(S(C)(=O)=O)cc1OC.COCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2cc(F)c(S(C)(=O)=O)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
InChIInChI=1S/C30H36F4N4O5S.C19H25F3IN3O2.4C18H15P.C11H12FNO3S.Pd/c1-42-18-22(39)17-37-12-9-20(10-13-37)36-25-7-4-8-27-23(25)14-21(38(27)19-30(32,33)34)6-5-11-35-26-15-24(31)29(44(3,40)41)16-28(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;1-4-5-13-9-6-8(12)11(17(3,14)15)7-10(9)16-2;/h4,7-8,14-16,20,22,35-36,39H,9-13,17-19H2,1-3H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1,6-7,13H,5H2,2-3H3;
InChIKeyIGRLUWFIDLTVOF-UHFFFAOYSA-N
XLogP22.85
TPSA210.12 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.90
LogP ≤ 522.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) (CID 167589676) is 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) is C#CCNc1cc(F)c(S(C)(=O)=O)cc1OC.COCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2cc(F)c(S(C)(=O)=O)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-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)?
The InChIKey is IGRLUWFIDLTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F4N4O5S.C19H25F3IN3O2.4C18H15P.C11H12FNO3S.Pd/c1-42-18-22(39)17-37-12-9-20(10-13-37)36-25-7-4-8-27-23(25)14-21(38(27)19-30(32,33)34)6-5-11-35-26-15-24(31)29(44(3,40)41)16-28(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;1-4-5-13-9-6-8(12)11(17(3,14)15)7-10(9)16-2;/h4,7-8,14-16,20,22,35-36,39H,9-13,17-19H2,1-3H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1,6-7,13H,5H2,2-3H3;.
What are the key properties of 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane)?
1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2564.90 g/mol, XLogP of 22.85, 34 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[3-(5-fluoro-2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;5-fluoro-2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167589676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).