benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium

C124H128BBrN12O4Pd-4 — CID 157191880

IUPACbenzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium
SMILESCCN(CCOC)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3C)c(C)nn12.CCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12.Cc1cc(-n2cccn2)ccc1B1OC(C)(C)C(C)(C)O1.[Pd].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N6O.C16H21BN2O2.C13H19BrN4O.4C12H10.4C6H5.Pd/c1-6-27(12-13-30-5)21-15-17(3)25-23-22(18(4)26-29(21)23)20-9-8-19(14-16(20)2)28-11-7-10-24-28;1-12-11-13(19-10-6-9-18-19)7-8-14(12)17-20-15(2,3)16(4,5)21-17;1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;/h7-11,14-15H,6,12-13H2,1-5H3;6-11H,1-5H3;8H,5-7H2,1-4H3;4*1-10H;4*1-5H;/q;;;;;;;4*-1;
InChIKeyVFWWWCJCOGKGCL-UHFFFAOYSA-N
MW2047.60 g/mol
LogP28.40
Rot. Bonds18

About benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium

benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium (PubChem CID 157191880) has the molecular formula C124H128BBrN12O4Pd-4 and a molecular weight of 2047.60 g/mol. Its IUPAC name is benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium.

Molecular Properties

Compound Namebenzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium
PubChem CID157191880
Molecular FormulaC124H128BBrN12O4Pd-4
Molecular Weight2047.60 g/mol
Exact Mass2044.85
IUPAC Namebenzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium
SMILESCCN(CCOC)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3C)c(C)nn12.CCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12.Cc1cc(-n2cccn2)ccc1B1OC(C)(C)C(C)(C)O1.[Pd].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N6O.C16H21BN2O2.C13H19BrN4O.4C12H10.4C6H5.Pd/c1-6-27(12-13-30-5)21-15-17(3)25-23-22(18(4)26-29(21)23)20-9-8-19(14-16(20)2)28-11-7-10-24-28;1-12-11-13(19-10-6-9-18-19)7-8-14(12)17-20-15(2,3)16(4,5)21-17;1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;/h7-11,14-15H,6,12-13H2,1-5H3;6-11H,1-5H3;8H,5-7H2,1-4H3;4*1-10H;4*1-5H;/q;;;;;;;4*-1;
InChIKeyVFWWWCJCOGKGCL-UHFFFAOYSA-N
XLogP28.40
TPSA139.42 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.60
LogP ≤ 528.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium with MolForge

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Related Compounds

benzene;tetrakis(1,1'-biphenyl);3-bromo-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine;(2-methyl-4-pyrazol-1-ylphenyl)boronic acid;palladium
CID 157690650
3-bromo-6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine;2-deuterio-5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;2-deuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157777942
7-(3-Bromo-5-isocyano-6-methylindol-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;7-[5-isocyano-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-[1,2,4]triazolo[4,3-a]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157976006
7-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 158176016
3-bromo-6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine;5-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 159989418
8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;bis(8-(1H-indazol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 160226319
5-Bromo-4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene;bis(4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 160230567
7-bromo-[1,2,4]triazolo[1,5-a]pyridine;N-[[(5S)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 160263540
7-bromo-[1,2,4]triazolo[1,5-a]pyridine;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 160616648
4-Bromo-2-methyl-1,3-dihydroisoindole;6-(2-methyl-1,3-dihydroisoindol-4-yl)-1-(6-methyl-2-pyridinyl)indazole;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 161024646
8-Bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;bis(8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 161612784
1-Benzyl-6-bromo-2-methylimidazo[4,5-b]pyridine;1-benzyl-2-methyl-6-(2-methylpyrazol-3-yl)imidazo[4,5-b]pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161978751

Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium?
The IUPAC name of benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium (CID 157191880) is benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium.
What is the SMILES notation for benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium?
The canonical SMILES for benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium is CCN(CCOC)c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3C)c(C)nn12.CCN(CCOC)c1cc(C)nc2c(Br)c(C)nn12.Cc1cc(-n2cccn2)ccc1B1OC(C)(C)C(C)(C)O1.[Pd].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium?
The InChIKey is VFWWWCJCOGKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C16H21BN2O2.C13H19BrN4O.4C12H10.4C6H5.Pd/c1-6-27(12-13-30-5)21-15-17(3)25-23-22(18(4)26-29(21)23)20-9-8-19(14-16(20)2)28-11-7-10-24-28;1-12-11-13(19-10-6-9-18-19)7-8-14(12)17-20-15(2,3)16(4,5)21-17;1-5-17(6-7-19-4)11-8-9(2)15-13-12(14)10(3)16-18(11)13;4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;4*1-2-4-6-5-3-1;/h7-11,14-15H,6,12-13H2,1-5H3;6-11H,1-5H3;8H,5-7H2,1-4H3;4*1-10H;4*1-5H;/q;;;;;;;4*-1;.
What are the key properties of benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium?
benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium has a molecular weight of 2047.60 g/mol, XLogP of 28.40, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetrakis(1,1'-biphenyl);3-bromo-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-(2-methoxyethyl)-2,5-dimethyl-3-(2-methyl-4-pyrazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;palladium is sourced from PubChem (CID 157191880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).