7-Azaindole-4-boronic Acid Pinacol Ester - CAS 942919-26-8
Catalog: |
BB041261 |
Product Name: |
7-Azaindole-4-boronic Acid Pinacol Ester |
CAS: |
942919-26-8 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine |
Description: | 7-Azaindole-4-boronic Acid Pinacol Ester (CAS# 942919-26-8) is used in organic synthesis, in particular, that of novel potent and selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR inhibitors. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2 |
InChI: | InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16) |
InChI Key: | OYFHAWAVFVJOBN-UHFFFAOYSA-N |
Boiling Point: | 405.7 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD11616360 |
LogP: | 1.86210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021143821-A1 | Fused heteroaryl derivative, preparation method therefor, and application thereof in medicine | 20200117 |
CN-113004303-A | Pyrimido-oxazine tricyclic derivative, preparation method and application thereof in medicine | 20191218 |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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