N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)

C119H106BF3N10O7P4PdS — CID 157207824

IUPACN-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)
SMILESCNC(=O)c1cnc2ccc(-c3ncccc3-c3cccc(C)n3)cn12.CNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.Cc1cccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17N5O.4C18H15P.C15H20BN3O3.C12H9F3N2O3S.Pd/c1-13-5-3-7-16(24-13)15-6-4-10-22-19(15)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10;1-8-4-2-6-10(17-8)9-5-3-7-16-11(9)20-21(18,19)12(13,14)15;/h3-12H,1-2H3,(H,21,26);4*1-15H;6-9H,1-5H3,(H,17,20);2-7H,1H3;
InChIKeyARNWQXYUSRVEDF-UHFFFAOYSA-N
MW2118.41 g/mol
LogP20.58
Rot. Bonds20

About N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)

N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) (PubChem CID 157207824) has the molecular formula C119H106BF3N10O7P4PdS and a molecular weight of 2118.41 g/mol. Its IUPAC name is N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound NameN-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)
PubChem CID157207824
Molecular FormulaC119H106BF3N10O7P4PdS
Molecular Weight2118.41 g/mol
Exact Mass2116.60
IUPAC NameN-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)
SMILESCNC(=O)c1cnc2ccc(-c3ncccc3-c3cccc(C)n3)cn12.CNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.Cc1cccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17N5O.4C18H15P.C15H20BN3O3.C12H9F3N2O3S.Pd/c1-13-5-3-7-16(24-13)15-6-4-10-22-19(15)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10;1-8-4-2-6-10(17-8)9-5-3-7-16-11(9)20-21(18,19)12(13,14)15;/h3-12H,1-2H3,(H,21,26);4*1-15H;6-9H,1-5H3,(H,17,20);2-7H,1H3;
InChIKeyARNWQXYUSRVEDF-UHFFFAOYSA-N
XLogP20.58
TPSA206.19 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.41
LogP ≤ 520.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

3-bromo-2-methoxypyridine;2-bromo-6-methylpyridine;(3-carbamoylimidazo[1,2-a]pyridin-6-yl)boronic acid;2-methoxy-3-(6-methyl-2-pyridinyl)pyridine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;palladium;tribromoborane;trifluoromethylsulfonyl trifluoromethanesulfonate;tetrakis(triphenylphosphane)
CID 157069928
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N,N-bis(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl] trifluoromethanesulfonate
CID 158663539

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) (CID 157207824) is N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) is CNC(=O)c1cnc2ccc(-c3ncccc3-c3cccc(C)n3)cn12.CNC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.Cc1cccc(-c2cccnc2OS(=O)(=O)C(F)(F)F)n1.[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 N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)?
The InChIKey is ARNWQXYUSRVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.4C18H15P.C15H20BN3O3.C12H9F3N2O3S.Pd/c1-13-5-3-7-16(24-13)15-6-4-10-22-19(15)14-8-9-18-23-11-17(20(26)21-2)25(18)12-14;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2)15(3,4)22-16(21-14)10-6-7-12-18-8-11(13(20)17-5)19(12)9-10;1-8-4-2-6-10(17-8)9-5-3-7-16-11(9)20-21(18,19)12(13,14)15;/h3-12H,1-2H3,(H,21,26);4*1-15H;6-9H,1-5H3,(H,17,20);2-7H,1H3;.
What are the key properties of N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane)?
N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2118.41 g/mol, XLogP of 20.58, 20 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;[3-(6-methyl-2-pyridinyl)-2-pyridinyl] trifluoromethanesulfonate;N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157207824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).