2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)

C212H228F15I2N19O18P4PdS4 — CID 167694339

About 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)

2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane) (PubChem CID 167694339) has the molecular formula C212H228F15I2N19O18P4PdS4 and a molecular weight of 4227.63 g/mol. Its IUPAC name is 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 167694339
• Molecular Formula: C212H228F15I2N19O18P4PdS4
• Molecular Weight: 4227.63 g/mol
• Exact Mass: 4224.22
• IUPAC Name: 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)
• SMILES: C.C#CCNc1ccc(S(C)(=O)=O)cc1OC.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C4CCOC4)CC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN([C@@H]4CCOC4)CC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN([C@H]4CCOC4)CC3)cccc2n1CC(F)(F)F.FC(F)(F)Cn1c(I)cc2c(NC3CCN(C4CCOC4)CC3)cccc21.FC(F)(F)Cn1c(I)cc2c(NC3CCNCC3)cccc21.O=C1CCOC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/3C30H35F3N4O4S.C19H23F3IN3O.4C18H15P.C15H17F3IN3.C11H13NO3S.C4H6O2.CH4.Pd/c3*1-40-29-18-24(42(2,38)39)8-9-27(29)34-13-4-5-22-17-25-26(6-3-7-28(25)37(22)20-30(31,32)33)35-21-10-14-36(15-11-21)23-12-16-41-19-23;20-19(21,22)12-26-17-3-1-2-16(15(17)10-18(26)23)24-13-4-7-25(8-5-13)14-6-9-27-11-14;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;1-4-7-12-10-6-5-9(16(3,13)14)8-11(10)15-2;5-4-1-2-6-3-4;;/h3*3,6-9,17-18,21,23,34-35H,10-16,19-20H2,1-2H3;1-3,10,13-14,24H,4-9,11-12H2;4*1-15H;1-3,8,10,20-21H,4-7,9H2;1,5-6,8,12H,7H2,2-3H3;1-3H2;1H4;/t2*23-;;;;;;;;;;;/m10.........../s1
• InChIKey: XKPWJYVMJSDXDF-RDADMIIRSA-N
• XLogP: 38.21
• TPSA: 394.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4227.63
LogP ≤ 5	38.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

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 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane) (CID 167694339) is 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane) is C.C#CCNc1ccc(S(C)(=O)=O)cc1OC.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN(C4CCOC4)CC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN([C@@H]4CCOC4)CC3)cccc2n1CC(F)(F)F.COc1cc(S(C)(=O)=O)ccc1NCC#Cc1cc2c(NC3CCN([C@H]4CCOC4)CC3)cccc2n1CC(F)(F)F.FC(F)(F)Cn1c(I)cc2c(NC3CCN(C4CCOC4)CC3)cccc21.FC(F)(F)Cn1c(I)cc2c(NC3CCNCC3)cccc21.O=C1CCOC1.[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 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)?

The InChIKey is XKPWJYVMJSDXDF-RDADMIIRSA-N. The full InChI is InChI=1S/3C30H35F3N4O4S.C19H23F3IN3O.4C18H15P.C15H17F3IN3.C11H13NO3S.C4H6O2.CH4.Pd/c3*1-40-29-18-24(42(2,38)39)8-9-27(29)34-13-4-5-22-17-25-26(6-3-7-28(25)37(22)20-30(31,32)33)35-21-10-14-36(15-11-21)23-12-16-41-19-23;20-19(21,22)12-26-17-3-1-2-16(15(17)10-18(26)23)24-13-4-7-25(8-5-13)14-6-9-27-11-14;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;1-4-7-12-10-6-5-9(16(3,13)14)8-11(10)15-2;5-4-1-2-6-3-4;;/h3*3,6-9,17-18,21,23,34-35H,10-16,19-20H2,1-2H3;1-3,10,13-14,24H,4-9,11-12H2;4*1-15H;1-3,8,10,20-21H,4-7,9H2;1,5-6,8,12H,7H2,2-3H3;1-3H2;1H4;/t2*23-;;;;;;;;;;;/m10.........../s1.

What are the key properties of 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane)?

2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane) has a molecular weight of 4227.63 g/mol, XLogP of 38.21, 47 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-iodo-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-iodo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)indol-4-amine;methane;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-[3-(2-methoxy-4-methylsulfonylanilino)prop-1-ynyl]-N-[1-(oxolan-3-yl)piperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine;2-methoxy-4-methylsulfonyl-N-prop-2-ynylaniline;oxolan-3-one;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 167694339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).