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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Properties

Molecular formula: C₁₂H₁₆BN₃O₂
Molar mass: 245.09 g/mol
Exact mass: 245.1336 Da
logP: 1.26Crippen estimate
Polar surface area: 60.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-944 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-843 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-443 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-742 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-742 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-742 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-341 % similar 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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