dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)

C221H255F15I3K2N19O27P4PdS4 — CID 167564973

IUPACdipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESC#CCNc1ccc(S(=O)(=O)CC)cc1OC.C#CCNc1ccc(S(C)(=O)=O)cc1OC.CCOCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2ccc(S(C)(=O)=O)cc2OC)n3CC(F)(F)F)CC1.CCOCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.CCOCC1CO1.CCS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCN(CC(O)COC)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.COCC1CO1.FC(F)(F)Cn1c(I)cc2c(NC3CCNCC3)cccc21.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C31H39F3N4O5S.C20H27F3IN3O2.C19H25F3IN3O2.4C18H15P.C15H17F3IN3.C12H15NO3S.C11H13NO3S.C5H10O2.C4H8O2.CH2O3.2K.Pd.H/c1-4-43-20-24(39)19-37-15-12-22(13-16-37)36-27-8-5-9-29-26(27)17-23(38(29)21-31(32,33)34)7-6-14-35-28-11-10-25(44(3,40)41)18-30(28)42-2;1-4-44(40,41)25-10-11-28(30(18-25)43-3)35-14-6-7-23-17-26-27(8-5-9-29(26)38(23)21-31(32,33)34)36-22-12-15-37(16-13-22)19-24(39)20-42-2;1-2-29-12-15(28)11-26-8-6-14(7-9-26)25-17-4-3-5-18-16(17)10-19(24)27(18)13-20(21,22)23;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;16-15(17,18)9-22-13-3-1-2-12(11(13)8-14(22)19)21-10-4-6-20-7-5-10;1-4-8-13-11-7-6-10(9-12(11)16-3)17(14,15)5-2;1-4-7-12-10-6-5-9(16(3,13)14)8-11(10)15-2;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4;2-1-4-3;;;;/h2*5,8-11,17-18,22,24,35-36,39H,4,12-16,19-21H2,1-3H3;3-5,10,14-15,25,28H,2,6-9,11-13H2,1H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1-3,8,10,20-21H,4-7,9H2;1,6-7,9,13H,5,8H2,2-3H3;1,5-6,8,12H,7H2,2-3H3;5H,2-4H2,1H3;4H,2-3H2,1H3;1,3H;;;;/q;;;;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyWNJVPZNYDWLILH-UHFFFAOYSA-M
MW4712.04 g/mol
LogP29.91
Rot. Bonds69

About dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)

dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 167564973) has the molecular formula C221H255F15I3K2N19O27P4PdS4 and a molecular weight of 4712.04 g/mol. Its IUPAC name is dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)
PubChem CID167564973
Molecular FormulaC221H255F15I3K2N19O27P4PdS4
Molecular Weight4712.04 g/mol
Exact Mass4708.22
IUPAC Namedipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)
SMILESC#CCNc1ccc(S(=O)(=O)CC)cc1OC.C#CCNc1ccc(S(C)(=O)=O)cc1OC.CCOCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2ccc(S(C)(=O)=O)cc2OC)n3CC(F)(F)F)CC1.CCOCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.CCOCC1CO1.CCS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCN(CC(O)COC)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.COCC1CO1.FC(F)(F)Cn1c(I)cc2c(NC3CCNCC3)cccc21.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C31H39F3N4O5S.C20H27F3IN3O2.C19H25F3IN3O2.4C18H15P.C15H17F3IN3.C12H15NO3S.C11H13NO3S.C5H10O2.C4H8O2.CH2O3.2K.Pd.H/c1-4-43-20-24(39)19-37-15-12-22(13-16-37)36-27-8-5-9-29-26(27)17-23(38(29)21-31(32,33)34)7-6-14-35-28-11-10-25(44(3,40)41)18-30(28)42-2;1-4-44(40,41)25-10-11-28(30(18-25)43-3)35-14-6-7-23-17-26-27(8-5-9-29(26)38(23)21-31(32,33)34)36-22-12-15-37(16-13-22)19-24(39)20-42-2;1-2-29-12-15(28)11-26-8-6-14(7-9-26)25-17-4-3-5-18-16(17)10-19(24)27(18)13-20(21,22)23;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;16-15(17,18)9-22-13-3-1-2-12(11(13)8-14(22)19)21-10-4-6-20-7-5-10;1-4-8-13-11-7-6-10(9-12(11)16-3)17(14,15)5-2;1-4-7-12-10-6-5-9(16(3,13)14)8-11(10)15-2;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4;2-1-4-3;;;;/h2*5,8-11,17-18,22,24,35-36,39H,4,12-16,19-21H2,1-3H3;3-5,10,14-15,25,28H,2,6-9,11-13H2,1H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1-3,8,10,20-21H,4-7,9H2;1,6-7,9,13H,5,8H2,2-3H3;1,5-6,8,12H,7H2,2-3H3;5H,2-4H2,1H3;4H,2-3H2,1H3;1,3H;;;;/q;;;;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyWNJVPZNYDWLILH-UHFFFAOYSA-M
XLogP29.91
TPSA542.11 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds69
Heavy Atoms296
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004712.04
LogP ≤ 529.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 167564973) is dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) is C#CCNc1ccc(S(=O)(=O)CC)cc1OC.C#CCNc1ccc(S(C)(=O)=O)cc1OC.CCOCC(O)CN1CCC(Nc2cccc3c2cc(C#CCNc2ccc(S(C)(=O)=O)cc2OC)n3CC(F)(F)F)CC1.CCOCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.CCOCC1CO1.CCS(=O)(=O)c1ccc(NCC#Cc2cc3c(NC4CCN(CC(O)COC)CC4)cccc3n2CC(F)(F)F)c(OC)c1.COCC(O)CN1CCC(Nc2cccc3c2cc(I)n3CC(F)(F)F)CC1.COCC1CO1.FC(F)(F)Cn1c(I)cc2c(NC3CCNCC3)cccc21.O=CO[O-].[H-].[K+].[K+].[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 dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)?
The InChIKey is WNJVPZNYDWLILH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C31H39F3N4O5S.C20H27F3IN3O2.C19H25F3IN3O2.4C18H15P.C15H17F3IN3.C12H15NO3S.C11H13NO3S.C5H10O2.C4H8O2.CH2O3.2K.Pd.H/c1-4-43-20-24(39)19-37-15-12-22(13-16-37)36-27-8-5-9-29-26(27)17-23(38(29)21-31(32,33)34)7-6-14-35-28-11-10-25(44(3,40)41)18-30(28)42-2;1-4-44(40,41)25-10-11-28(30(18-25)43-3)35-14-6-7-23-17-26-27(8-5-9-29(26)38(23)21-31(32,33)34)36-22-12-15-37(16-13-22)19-24(39)20-42-2;1-2-29-12-15(28)11-26-8-6-14(7-9-26)25-17-4-3-5-18-16(17)10-19(24)27(18)13-20(21,22)23;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;16-15(17,18)9-22-13-3-1-2-12(11(13)8-14(22)19)21-10-4-6-20-7-5-10;1-4-8-13-11-7-6-10(9-12(11)16-3)17(14,15)5-2;1-4-7-12-10-6-5-9(16(3,13)14)8-11(10)15-2;1-2-6-3-5-4-7-5;1-5-2-4-3-6-4;2-1-4-3;;;;/h2*5,8-11,17-18,22,24,35-36,39H,4,12-16,19-21H2,1-3H3;3-5,10,14-15,25,28H,2,6-9,11-13H2,1H3;2-4,9,13-14,24,27H,5-8,10-12H2,1H3;4*1-15H;1-3,8,10,20-21H,4-7,9H2;1,6-7,9,13H,5,8H2,2-3H3;1,5-6,8,12H,7H2,2-3H3;5H,2-4H2,1H3;4H,2-3H2,1H3;1,3H;;;;/q;;;;;;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane)?
dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 4712.04 g/mol, XLogP of 29.91, 69 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-ethoxy-3-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;1-ethoxy-3-[4-[[2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]propan-2-ol;2-(ethoxymethyl)oxirane;1-[4-[[2-[3-(4-ethylsulfonyl-2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;4-ethylsulfonyl-2-methoxy-N-prop-2-ynylaniline;hydride;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;1-[4-[[2-iodo-1-(2,2,2-trifluoroethyl)indol-4-yl]amino]piperidin-1-yl]-3-methoxypropan-2-ol;2-(methoxymethyl)oxirane;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).