N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)

C126H125BrN14O7P4PdS3Sn — CID 158545768

IUPACN-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)
SMILESC.C.CS(=O)(=O)Cc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.CS(=O)(=O)Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.CS(=O)(=O)Nc1cccc(Br)n1.C[Sn](C)(C)C.Nc1ccncc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O3S.C18H16N6O2S.4C18H15P.C6H7BrN2O2S.C5H6N2.2CH4.4CH3.Pd.Sn/c1-27(24,25)13-14-7-5-10-16(20-14)18-21-19(17-11-6-12-23(17)22-18)26-15-8-3-2-4-9-15;1-27(25,26)12-14-4-2-5-15(20-14)17-22-18(16-6-3-11-24(16)23-17)21-13-7-9-19-10-8-13;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(10,11)9-6-4-2-3-5(7)8-6;6-5-1-3-7-4-2-5;;;;;;;;/h2-12H,13H2,1H3;2-11H,12H2,1H3,(H,19,21,22,23);4*1-15H;2-4H,1H3,(H,8,9);1-4H,(H2,6,7);2*1H4;4*1H3;;
InChIKeyHPBZEUPWHIJDHQ-UHFFFAOYSA-N
MW2472.61 g/mol
LogP24.49
Rot. Bonds24

About N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)

N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) (PubChem CID 158545768) has the molecular formula C126H125BrN14O7P4PdS3Sn and a molecular weight of 2472.61 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)
PubChem CID158545768
Molecular FormulaC126H125BrN14O7P4PdS3Sn
Molecular Weight2472.61 g/mol
Exact Mass2470.52
IUPAC NameN-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)
SMILESC.C.CS(=O)(=O)Cc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.CS(=O)(=O)Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.CS(=O)(=O)Nc1cccc(Br)n1.C[Sn](C)(C)C.Nc1ccncc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O3S.C18H16N6O2S.4C18H15P.C6H7BrN2O2S.C5H6N2.2CH4.4CH3.Pd.Sn/c1-27(24,25)13-14-7-5-10-16(20-14)18-21-19(17-11-6-12-23(17)22-18)26-15-8-3-2-4-9-15;1-27(25,26)12-14-4-2-5-15(20-14)17-22-18(16-6-3-11-24(16)23-17)21-13-7-9-19-10-8-13;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(10,11)9-6-4-2-3-5(7)8-6;6-5-1-3-7-4-2-5;;;;;;;;/h2-12H,13H2,1H3;2-11H,12H2,1H3,(H,19,21,22,23);4*1-15H;2-4H,1H3,(H,8,9);1-4H,(H2,6,7);2*1H4;4*1H3;;
InChIKeyHPBZEUPWHIJDHQ-UHFFFAOYSA-N
XLogP24.49
TPSA286.56 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002472.61
LogP ≤ 524.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2-bromo-6-(trifluoromethyl)pyridine;methane;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;pyridin-4-amine;N-pyridin-4-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tetramethylstannane
CID 158526693
2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)
CID 159207080
N-(4-amino-2-pyridinyl)acetamide;6-bromo-2-(difluoromethyl)-3-fluoropyridine;2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;methane;palladium;tributyl(methyl)stannane;tetrakis(triphenylphosphane)
CID 157632774
2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)
CID 158733767
N-(4-amino-2-pyridinyl)acetamide;6-bromo-2-(difluoromethyl)-3-fluoropyridine;2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[4-[[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;methane;palladium;tributyl(methyl)stannane;tetrakis(triphenylphosphane)
CID 160742436
2-bromo-5-fluoropyridine;3-chloropyridin-4-amine;N-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;methane;palladium;tetramethylstannane;tetrakis(triphenylphosphane)
CID 161656581

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)?
The IUPAC name of N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) (CID 158545768) is N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane).
What is the SMILES notation for N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)?
The canonical SMILES for N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) is C.C.CS(=O)(=O)Cc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.CS(=O)(=O)Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.CS(=O)(=O)Nc1cccc(Br)n1.C[Sn](C)(C)C.Nc1ccncc1.[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-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)?
The InChIKey is HPBZEUPWHIJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S.C18H16N6O2S.4C18H15P.C6H7BrN2O2S.C5H6N2.2CH4.4CH3.Pd.Sn/c1-27(24,25)13-14-7-5-10-16(20-14)18-21-19(17-11-6-12-23(17)22-18)26-15-8-3-2-4-9-15;1-27(25,26)12-14-4-2-5-15(20-14)17-22-18(16-6-3-11-24(16)23-17)21-13-7-9-19-10-8-13;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(10,11)9-6-4-2-3-5(7)8-6;6-5-1-3-7-4-2-5;;;;;;;;/h2-12H,13H2,1H3;2-11H,12H2,1H3,(H,19,21,22,23);4*1-15H;2-4H,1H3,(H,8,9);1-4H,(H2,6,7);2*1H4;4*1H3;;.
What are the key properties of N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane)?
N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) has a molecular weight of 2472.61 g/mol, XLogP of 24.49, 24 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)methanesulfonamide;methane;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2-[6-(methylsulfonylmethyl)-2-pyridinyl]-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;palladium;pyridin-4-amine;tetramethylstannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158545768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).