2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)

C210H178B2Br4N14O8P8Pd2S4 — CID 157136431

IUPAC2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)
SMILESBrc1ccsc1Br.CC1(C)OB(c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)OC1(C)C.Cc1cccc(-c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(Br)n1.NC(=O)c1cnc2ccc(-c3sccc3Br)cn12.NC(=O)c1cnc2ccc(B(O)O)cn12.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H20BN3O3S.C18H14N4OS.8C18H15P.C12H8BrN3OS.C8H8BN3O3.C6H6BrN.C4H2Br2S.2Pd/c1-17(2)18(3,4)25-19(24-17)12-7-8-26-15(12)11-5-6-14-21-9-13(16(20)23)22(14)10-11;1-11-3-2-4-14(21-11)13-7-8-24-17(13)12-5-6-16-20-9-15(18(19)23)22(16)10-12;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-8-3-4-18-11(8)7-1-2-10-15-5-9(12(14)17)16(10)6-7;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-5-3-2-4-6(7)8-5;5-3-1-2-7-4(3)6;;/h5-10H,1-4H3,(H2,20,23);2-10H,1H3,(H2,19,23);8*1-15H;1-6H,(H2,14,17);1-4,14-15H,(H2,10,13);2-4H,1H3;1-2H;;
InChIKeyAJRFVKHBQNQRIO-UHFFFAOYSA-N
MW3955.96 g/mol
LogP40.01
Rot. Bonds34

About 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)

2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) (PubChem CID 157136431) has the molecular formula C210H178B2Br4N14O8P8Pd2S4 and a molecular weight of 3955.96 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane).

Molecular Properties

Compound Name2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)
PubChem CID157136431
Molecular FormulaC210H178B2Br4N14O8P8Pd2S4
Molecular Weight3955.96 g/mol
Exact Mass3948.57
IUPAC Name2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)
SMILESBrc1ccsc1Br.CC1(C)OB(c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)OC1(C)C.Cc1cccc(-c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(Br)n1.NC(=O)c1cnc2ccc(-c3sccc3Br)cn12.NC(=O)c1cnc2ccc(B(O)O)cn12.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H20BN3O3S.C18H14N4OS.8C18H15P.C12H8BrN3OS.C8H8BN3O3.C6H6BrN.C4H2Br2S.2Pd/c1-17(2)18(3,4)25-19(24-17)12-7-8-26-15(12)11-5-6-14-21-9-13(16(20)23)22(14)10-11;1-11-3-2-4-14(21-11)13-7-8-24-17(13)12-5-6-16-20-9-15(18(19)23)22(16)10-12;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-8-3-4-18-11(8)7-1-2-10-15-5-9(12(14)17)16(10)6-7;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-5-3-2-4-6(7)8-5;5-3-1-2-7-4(3)6;;/h5-10H,1-4H3,(H2,20,23);2-10H,1H3,(H2,19,23);8*1-15H;1-6H,(H2,14,17);1-4,14-15H,(H2,10,13);2-4H,1H3;1-2H;;
InChIKeyAJRFVKHBQNQRIO-UHFFFAOYSA-N
XLogP40.01
TPSA326.26 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003955.96
LogP ≤ 540.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) with MolForge

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Related Compounds

N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;1-[6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 159723281
N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;3-ethenyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;1-[6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 161227825
6-(4-Bromothiophen-3-yl)imidazo[1,2-a]pyridine-3-carboxamide;3,4-dibromothiophene;6-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane
CID 157891686
6-Bromoimidazo[1,2-a]pyridine-3-carboxamide;2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;octakis(triphenylphosphane)
CID 158681467
6-(2-Bromocyclohexen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;1,2-dibromocyclohexene;6-[2-(6-methyl-2-pyridinyl)cyclohexen-1-yl]imidazo[1,2-a]pyridine-3-carboxamide;palladium;tributyl-(6-methyl-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
CID 161602782
CID 161693272
CID 161693272

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)?
The IUPAC name of 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) (CID 157136431) is 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane).
What is the SMILES notation for 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)?
The canonical SMILES for 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) is Brc1ccsc1Br.CC1(C)OB(c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)OC1(C)C.Cc1cccc(-c2ccsc2-c2ccc3ncc(C(N)=O)n3c2)n1.Cc1cccc(Br)n1.NC(=O)c1cnc2ccc(-c3sccc3Br)cn12.NC(=O)c1cnc2ccc(B(O)O)cn12.[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.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-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)?
The InChIKey is AJRFVKHBQNQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BN3O3S.C18H14N4OS.8C18H15P.C12H8BrN3OS.C8H8BN3O3.C6H6BrN.C4H2Br2S.2Pd/c1-17(2)18(3,4)25-19(24-17)12-7-8-26-15(12)11-5-6-14-21-9-13(16(20)23)22(14)10-11;1-11-3-2-4-14(21-11)13-7-8-24-17(13)12-5-6-16-20-9-15(18(19)23)22(16)10-12;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-8-3-4-18-11(8)7-1-2-10-15-5-9(12(14)17)16(10)6-7;10-8(13)6-3-11-7-2-1-5(9(14)15)4-12(6)7;1-5-3-2-4-6(7)8-5;5-3-1-2-7-4(3)6;;/h5-10H,1-4H3,(H2,20,23);2-10H,1H3,(H2,19,23);8*1-15H;1-6H,(H2,14,17);1-4,14-15H,(H2,10,13);2-4H,1H3;1-2H;;.
What are the key properties of 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane)?
2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) has a molecular weight of 3955.96 g/mol, XLogP of 40.01, 34 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine;6-(3-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2,3-dibromothiophene;6-[3-(6-methyl-2-pyridinyl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;bis(palladium);6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;octakis(triphenylphosphane) is sourced from PubChem (CID 157136431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).