dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)

C132H116B2Br5Cs2F10IN14O7P4Pd — CID 158725537

About dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)

dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane) (PubChem CID 158725537) has the molecular formula C132H116B2Br5Cs2F10IN14O7P4Pd and a molecular weight of 3244.62 g/mol. Its IUPAC name is dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)
• PubChem CID: 158725537
• Molecular Formula: C132H116B2Br5Cs2F10IN14O7P4Pd
• Molecular Weight: 3244.62 g/mol
• Exact Mass: 3238.02
• IUPAC Name: dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)
• SMILES: Brc1nc[nH]c1Br.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.FC(F)CI.FC(F)Cn1cnc(Br)c1-c1ccc2nccn2c1.FC(F)Cn1cnc(Br)c1Br.Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3nccn3c2)cc1.O=CO[O-].OB(O)c1ccc(F)cc1.[Cs+].[Cs+].[H-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H13F3N4.4C18H15P.C13H17BN2O2.C12H9BrF2N4.C6H6BFO2.C5H4Br2F2N2.C3H2Br2N2.C2H3F2I.CH2O3.2Cs.Pd.H/c19-14-4-1-12(2-5-14)17-18(25(11-23-17)10-15(20)21)13-3-6-16-22-7-8-24(16)9-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;13-12-11(19(7-17-12)6-9(14)15)8-1-2-10-16-3-4-18(10)5-8;8-6-3-1-5(2-4-6)7(9)10;6-4-5(7)11(2-10-4)1-3(8)9;4-2-3(5)7-1-6-2;3-2(4)1-5;2-1-4-3;;;;/h1-9,11,15H,10H2;4*1-15H;5-9H,1-4H3;1-5,7,9H,6H2;1-4,9-10H;2-3H,1H2;1H,(H,6,7);2H,1H2;1,3H;;;;/q;;;;;;;;;;;;2*+1;;-1/p-1
• InChIKey: PNUFODCSCODOMK-UHFFFAOYSA-M
• XLogP: 21.26
• TPSA: 242.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3244.62
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)?

The IUPAC name of dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane) (CID 158725537) is dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane).

What is the SMILES notation for dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)?

The canonical SMILES for dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane) is Brc1nc[nH]c1Br.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.FC(F)CI.FC(F)Cn1cnc(Br)c1-c1ccc2nccn2c1.FC(F)Cn1cnc(Br)c1Br.Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3nccn3c2)cc1.O=CO[O-].OB(O)c1ccc(F)cc1.[Cs+].[Cs+].[H-].[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 dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)?

The InChIKey is PNUFODCSCODOMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13F3N4.4C18H15P.C13H17BN2O2.C12H9BrF2N4.C6H6BFO2.C5H4Br2F2N2.C3H2Br2N2.C2H3F2I.CH2O3.2Cs.Pd.H/c19-14-4-1-12(2-5-14)17-18(25(11-23-17)10-15(20)21)13-3-6-16-22-7-8-24(16)9-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;13-12-11(19(7-17-12)6-9(14)15)8-1-2-10-16-3-4-18(10)5-8;8-6-3-1-5(2-4-6)7(9)10;6-4-5(7)11(2-10-4)1-3(8)9;4-2-3(5)7-1-6-2;3-2(4)1-5;2-1-4-3;;;;/h1-9,11,15H,10H2;4*1-15H;5-9H,1-4H3;1-5,7,9H,6H2;1-4,9-10H;2-3H,1H2;1H,(H,6,7);2H,1H2;1,3H;;;;/q;;;;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane)?

dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane) has a molecular weight of 3244.62 g/mol, XLogP of 21.26, 25 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;4,5-dibromo-1H-imidazole;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;1,1-difluoro-2-iodoethane;(4-fluorophenyl)boronic acid;hydride;oxido formate;palladium;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158725537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).