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)

C137H135BrF9N15O3P4PdSn — CID 160742436

IUPACN-(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)
SMILESC.C.CC(=O)Nc1cc(N)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccc(F)c(C(F)F)n3)nn3cccc23)ccn1.CCCC[Sn](C)(CCCC)CCCC.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1C(F)F.Fc1ccc(Br)nc1C(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14F3N7O.C18H11F3N4O.4C18H15P.C7H9N3O.C6H3BrF3N.3C4H9.2CH4.CH3.Pd.Sn/c1-10(30)24-15-9-11(6-7-23-15)25-19-14-3-2-8-29(14)28-18(27-19)13-5-4-12(20)16(26-13)17(21)22;19-12-8-9-13(22-15(12)16(20)21)17-23-18(14-7-4-10-25(14)24-17)26-11-5-2-1-3-6-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(11)10-7-4-6(8)2-3-9-7;7-4-2-1-3(8)5(11-4)6(9)10;3*1-3-4-2;;;;;/h2-9,17H,1H3,(H2,23,24,25,27,28,30);1-10,16H;4*1-15H;2-4H,1H3,(H3,8,9,10,11);1-2,6H;3*1,3-4H2,2H3;2*1H4;1H3;;
InChIKeyRVTKXPCETKTQPR-UHFFFAOYSA-N
MW2639.60 g/mol
LogP32.68
Rot. Bonds32

About 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)

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) (PubChem CID 160742436) has the molecular formula C137H135BrF9N15O3P4PdSn and a molecular weight of 2639.60 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-(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)
PubChem CID160742436
Molecular FormulaC137H135BrF9N15O3P4PdSn
Molecular Weight2639.60 g/mol
Exact Mass2637.69
IUPAC NameN-(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)
SMILESC.C.CC(=O)Nc1cc(N)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccc(F)c(C(F)F)n3)nn3cccc23)ccn1.CCCC[Sn](C)(CCCC)CCCC.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1C(F)F.Fc1ccc(Br)nc1C(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H14F3N7O.C18H11F3N4O.4C18H15P.C7H9N3O.C6H3BrF3N.3C4H9.2CH4.CH3.Pd.Sn/c1-10(30)24-15-9-11(6-7-23-15)25-19-14-3-2-8-29(14)28-18(27-19)13-5-4-12(20)16(26-13)17(21)22;19-12-8-9-13(22-15(12)16(20)21)17-23-18(14-7-4-10-25(14)24-17)26-11-5-2-1-3-6-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(11)10-7-4-6(8)2-3-9-7;7-4-2-1-3(8)5(11-4)6(9)10;3*1-3-4-2;;;;;/h2-9,17H,1H3,(H2,23,24,25,27,28,30);1-10,16H;4*1-15H;2-4H,1H3,(H3,8,9,10,11);1-2,6H;3*1,3-4H2,2H3;2*1H4;1H3;;
InChIKeyRVTKXPCETKTQPR-UHFFFAOYSA-N
XLogP32.68
TPSA230.31 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.60
LogP ≤ 532.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carbonitrile
CID 158145878
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
CID 145236062
ethane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236214
2-chloro-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126484161
methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate
CID 126484459
3,3-difluorohexane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]butanamide
CID 145236138
N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126484185
N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]methanesulfonamide
CID 126484227
2-pyrrolidin-1-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236132
N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;(3R)-3-methyl-1-propoxypentane
CID 145236258
2-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126499814
2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
CID 126499774

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C.C.CC(=O)Nc1cc(N)ccn1.CC(=O)Nc1cc(Nc2nc(-c3ccc(F)c(C(F)F)n3)nn3cccc23)ccn1.CCCC[Sn](C)(CCCC)CCCC.Fc1ccc(-c2nc(Oc3ccccc3)c3cccn3n2)nc1C(F)F.Fc1ccc(Br)nc1C(F)F.[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-(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)?
The InChIKey is RVTKXPCETKTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O.C18H11F3N4O.4C18H15P.C7H9N3O.C6H3BrF3N.3C4H9.2CH4.CH3.Pd.Sn/c1-10(30)24-15-9-11(6-7-23-15)25-19-14-3-2-8-29(14)28-18(27-19)13-5-4-12(20)16(26-13)17(21)22;19-12-8-9-13(22-15(12)16(20)21)17-23-18(14-7-4-10-25(14)24-17)26-11-5-2-1-3-6-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(11)10-7-4-6(8)2-3-9-7;7-4-2-1-3(8)5(11-4)6(9)10;3*1-3-4-2;;;;;/h2-9,17H,1H3,(H2,23,24,25,27,28,30);1-10,16H;4*1-15H;2-4H,1H3,(H3,8,9,10,11);1-2,6H;3*1,3-4H2,2H3;2*1H4;1H3;;.
What are the key properties of 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)?
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) has a molecular weight of 2639.60 g/mol, XLogP of 32.68, 32 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160742436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).