N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)

C144H148BrN15O9P4PdSn — CID 159912137

IUPACN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O3.C20H19N5O3.4C18H15P.C15H17BrN4O3.C5H4N.3C4H9.Pd.Sn/c2*1-25-17(15-9-5-6-10-22-15)14(12-23-25)20(28)24-16(18(26)19(21)27)11-13-7-3-2-4-8-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-13(16)10(8-18-20)15(23)19-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-10,12,16,18,26H,11H2,1H3,(H2,21,27)(H,24,28);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28);4*1-15H;2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,19,23);1-4H;3*1,3-4H2,2H3;;/t16-,18?;16-;;;;;11-,12?;;;;;;/m00....0....../s1
InChIKeyNXHQZXXZYOXUQX-RKEHLTIESA-N
MW2661.79 g/mol
LogP20.83
Rot. Bonds42

About N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)

N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 159912137) has the molecular formula C144H148BrN15O9P4PdSn and a molecular weight of 2661.79 g/mol. Its IUPAC name is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
PubChem CID159912137
Molecular FormulaC144H148BrN15O9P4PdSn
Molecular Weight2661.79 g/mol
Exact Mass2659.78
IUPAC NameN-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O3.C20H19N5O3.4C18H15P.C15H17BrN4O3.C5H4N.3C4H9.Pd.Sn/c2*1-25-17(15-9-5-6-10-22-15)14(12-23-25)20(28)24-16(18(26)19(21)27)11-13-7-3-2-4-8-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-13(16)10(8-18-20)15(23)19-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-10,12,16,18,26H,11H2,1H3,(H2,21,27)(H,24,28);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28);4*1-15H;2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,19,23);1-4H;3*1,3-4H2,2H3;;/t16-,18?;16-;;;;;11-,12?;;;;;;/m00....0....../s1
InChIKeyNXHQZXXZYOXUQX-RKEHLTIESA-N
XLogP20.83
TPSA366.23 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.79
LogP ≤ 520.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
CID 164775131
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;pyridin-3-ylboronic acid
CID 167587318
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(1-benzothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 153484023
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide
CID 134396938
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153386322
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?
The IUPAC name of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) (CID 159912137) is N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane).
What is the SMILES notation for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?
The canonical SMILES for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1ccccn1.Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1Br.[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-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?
The InChIKey is NXHQZXXZYOXUQX-RKEHLTIESA-N. The full InChI is InChI=1S/C20H21N5O3.C20H19N5O3.4C18H15P.C15H17BrN4O3.C5H4N.3C4H9.Pd.Sn/c2*1-25-17(15-9-5-6-10-22-15)14(12-23-25)20(28)24-16(18(26)19(21)27)11-13-7-3-2-4-8-13;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-13(16)10(8-18-20)15(23)19-11(12(21)14(17)22)7-9-5-3-2-4-6-9;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-10,12,16,18,26H,11H2,1H3,(H2,21,27)(H,24,28);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28);4*1-15H;2-6,8,11-12,21H,7H2,1H3,(H2,17,22)(H,19,23);1-4H;3*1,3-4H2,2H3;;/t16-,18?;16-;;;;;11-,12?;;;;;;/m00....0....../s1.
What are the key properties of N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)?
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 2661.79 g/mol, XLogP of 20.83, 42 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159912137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).