6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)

C131H110B2Br3Cl2F8N15O4P4Pd — CID 159809325

About 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)

6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 159809325) has the molecular formula C131H110B2Br3Cl2F8N15O4P4Pd and a molecular weight of 2672.96 g/mol. Its IUPAC name is 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159809325
• Molecular Formula: C131H110B2Br3Cl2F8N15O4P4Pd
• Molecular Weight: 2672.96 g/mol
• Exact Mass: 2667.38
• IUPAC Name: 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)
• SMILES: CC(Cl)Cl.FC(F)Cn1cnc(Br)c1Br.OB(O)c1ccc(F)cc1.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(-c3c(Br)ncn3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H12F3N5.4C18H15P.C14H16BN3O2.C13H8BrF2N5.C6H6BFO2.C5H4Br2F2N2.C2H4Cl2.Pd/c1-23-17-8-24-16-7-4-13(9-27(16)17)19-18(12-2-5-14(20)6-3-12)25-11-26(19)10-15(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;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-17-11-4-18-10-3-2-8(5-21(10)11)12-13(14)19-7-20(12)6-9(15)16;8-6-3-1-5(2-4-6)7(9)10;6-4-5(7)11(2-10-4)1-3(8)9;1-2(3)4;/h2-9,11,15H,10H2;4*1-15H;6-9H,1-4H3;2-5,7,9H,6H2;1-4,9-10H;2-3H,1H2;2H,1H3
• InChIKey: NKUXCFUJXBTBKB-UHFFFAOYSA-N
• XLogP: 28.55
• TPSA: 177.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2672.96
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane) (CID 159809325) is 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane) is CC(Cl)Cl.FC(F)Cn1cnc(Br)c1Br.OB(O)c1ccc(F)cc1.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(-c3c(Br)ncn3CC(F)F)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.[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 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)?

The InChIKey is NKUXCFUJXBTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5.4C18H15P.C14H16BN3O2.C13H8BrF2N5.C6H6BFO2.C5H4Br2F2N2.C2H4Cl2.Pd/c1-23-17-8-24-16-7-4-13(9-27(16)17)19-18(12-2-5-14(20)6-3-12)25-11-26(19)10-15(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;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-17-11-4-18-10-3-2-8(5-21(10)11)12-13(14)19-7-20(12)6-9(15)16;8-6-3-1-5(2-4-6)7(9)10;6-4-5(7)11(2-10-4)1-3(8)9;1-2(3)4;/h2-9,11,15H,10H2;4*1-15H;6-9H,1-4H3;2-5,7,9H,6H2;1-4,9-10H;2-3H,1H2;2H,1H3;.

What are the key properties of 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)?

6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2672.96 g/mol, XLogP of 28.55, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-bromo-3-(2,2-difluoroethyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;4,5-dibromo-1-(2,2-difluoroethyl)imidazole;1,1-dichloroethane;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;(4-fluorophenyl)boronic acid;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).