carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium

C33H39BBrN8O6Pd- — CID 157367591

IUPACcarbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium
SMILESCCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[CH3-].[Pd]
InChIInChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2.CH3.Pd/c1-15-7-9(5-13-15)8-2-3-16-11(4-8)10(6-14-16)12(17)18;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;;/h2-7H,1H3,(H,17,18);6-7H,1-5H3;3-6H,2H2,1H3;1H3;/q;;;-1;
InChIKeyVTAMTGVRNRTSOD-UHFFFAOYSA-N
MW840.86 g/mol
LogP4.87
Rot. Bonds5

About carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium

carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium (PubChem CID 157367591) has the molecular formula C33H39BBrN8O6Pd- and a molecular weight of 840.86 g/mol. Its IUPAC name is carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium.

Molecular Properties

Compound Namecarbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium
PubChem CID157367591
Molecular FormulaC33H39BBrN8O6Pd-
Molecular Weight840.86 g/mol
Exact Mass839.13
IUPAC Namecarbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium
SMILESCCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[CH3-].[Pd]
InChIInChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2.CH3.Pd/c1-15-7-9(5-13-15)8-2-3-16-11(4-8)10(6-14-16)12(17)18;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;;/h2-7H,1H3,(H,17,18);6-7H,1-5H3;3-6H,2H2,1H3;1H3;/q;;;-1;
InChIKeyVTAMTGVRNRTSOD-UHFFFAOYSA-N
XLogP4.87
TPSA152.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium with MolForge

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Related Compounds

Methyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
CID 167674204
Methyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate;methyl 4-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate;4,4,5,5-tetramethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
CID 167688787
3-[3-(Hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123643122
Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;propane;pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 145642289
Methyl 3-bromo-2-[2-(2-methylpyrazolo[1,5-a]pyridine-6-carbonyl)oxyethyl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 153392895
2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)
CID 157289384
6,7-Dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 157574922
CID 157606025
CID 157606025
3-Bromo-6-fluoropyrazolo[1,5-a]pyridine;ethyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate;6-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid;6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 157729956
Methyl 6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 157743146
Methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 157808504
3-Bromopyrazolo[1,5-a]pyridine;ethyl prop-2-ynoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridine-3-carboxylic acid;pyridin-1-ium-1-amine;iodide
CID 157890494

Frequently Asked Questions

What is the IUPAC name of carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium?
The IUPAC name of carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium (CID 157367591) is carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium.
What is the SMILES notation for carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium?
The canonical SMILES for carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium is CCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[CH3-].[Pd].
What is the InChIKey of carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium?
The InChIKey is VTAMTGVRNRTSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2.CH3.Pd/c1-15-7-9(5-13-15)8-2-3-16-11(4-8)10(6-14-16)12(17)18;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;;/h2-7H,1H3,(H,17,18);6-7H,1-5H3;3-6H,2H2,1H3;1H3;/q;;;-1;.
What are the key properties of carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium?
carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium has a molecular weight of 840.86 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium is sourced from PubChem (CID 157367591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).