5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine

C12H16BN3O2CAS 1093819-50-1245.09 g/mol

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BOONHNN
Boronic ester

Properties

Molecular formula
C12H16BN3O2
Molar mass
245.09 g/mol
Exact mass
245.1336 Da
logP
1.26Crippen estimate
Polar surface area
60.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1093819-50-1
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3)N=C2
InChIKey
TZNNEHGHACAHPF-UHFFFAOYSA-N
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-8-6-15-16-10(8)14-7-9/h5-7H,1-4H3,(H,14,15,16)

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Names and synonyms

1 names
  • 1H-Pyrazolo[3,4-B]pyridine-5-boronic acid pinacol ester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Azaindole-5-boronic acid pinacol ester754214-56-764 % similar Indazole-5-boronic acid pinacol ester862723-42-063 % similar 6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole937049-58-659 % similar Quinoline-3-boronic acid pinacolate171364-85-556 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-650 % similar 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole915411-02-849 % similar 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine944401-75-649 % similar 4-Pyrazoleboronic acid pinacol ester269410-08-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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