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

C32H36BBrN8O6 — CID 158757995

IUPACethyl 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
SMILESCCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2/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
InChIKeyIOHSGANLNIPHLG-UHFFFAOYSA-N
MW719.41 g/mol
LogP4.43
Rot. Bonds5

About 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

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 (PubChem CID 158757995) has the molecular formula C32H36BBrN8O6 and a molecular weight of 719.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID158757995
Molecular FormulaC32H36BBrN8O6
Molecular Weight719.41 g/mol
Exact Mass718.20
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2/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
InChIKeyIOHSGANLNIPHLG-UHFFFAOYSA-N
XLogP4.43
TPSA152.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 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

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
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
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 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?
The IUPAC name of 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 (CID 158757995) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cnn2ccc(Br)cc12.Cn1cc(-c2ccn3ncc(C(=O)O)c3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of 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?
The InChIKey is IOHSGANLNIPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2.C10H17BN2O2.C10H9BrN2O2/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.
What are the key properties of 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?
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 has a molecular weight of 719.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158757995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).