1-Tosyl-7-azaindole-3-boronic Acid Pinacol Ester - CAS 866545-91-7
Catalog: |
BB038015 |
Product Name: |
1-Tosyl-7-azaindole-3-boronic Acid Pinacol Ester |
CAS: |
866545-91-7 |
Synonyms: |
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine; 1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
Description: | 1-Tosyl-7-azaindole-3-boronic Acid Pinacol Ester (CAS# 866545-91-7) is a useful research chemical compound. |
Molecular Weight: | 398.28 |
Molecular Formula: | C20H23N2O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)S(=O)(=O)C4=CC=C(C=C4)C |
InChI: | InChI=1S/C20H23BN2O4S/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3 |
InChI Key: | NXAUWIGLTZPZKD-UHFFFAOYSA-N |
Boiling Point: | 572 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD11616456 |
LogP: | 3.96170 |
Publication Number | Title | Priority Date |
EP-3558321-A1 | Derivatives of quinolines as inhibitors of dyrk1a and/or dyrk1b kinases | 20161223 |
JP-2020502252-A | Derivatives of quinoline as inhibitors of DYRK1A and / or DYRK1B kinase | 20161223 |
US-10577365-B2 | Derivatives of quinoline as inhibitors of DYRK1A and/or DYRK1B kinases | 20161223 |
US-2018179199-A1 | Derivatives of quinoline as inhibitors of dyrk1a and/or dyrk1b kinases | 20161223 |
WO-2018119039-A1 | Derivatives of quinolines as inhibitors of dyrk1a and/or dyrk1b kinases | 20161223 |
Complexity: | 669 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 398.1471586 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 398.1471586 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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