1-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine - CAS 1350626-27-5
Catalog: |
BB061703 |
Product Name: |
1-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine |
CAS: |
1350626-27-5 |
Synonyms: |
1-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 1-Benzyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 1-BENZYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRROLO[2,3-B]PYRIDINE |
IUPAC Name: | 1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
Molecular Weight: | 334.22 |
Molecular Formula: | C20H23BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)CC4=CC=CC=C4 |
InChI: | InChI=1S/C20H23BN2O2/c1-19(2)20(3,4)25-21(24-19)17-14-23(13-15-9-6-5-7-10-15)18-16(17)11-8-12-22-18/h5-12,14H,13H2,1-4H3 |
InChI Key: | TXYJAQWDYBJALP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012322818-A1 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
EP-2768830-B1 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
EP-3266776-A1 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
ES-2699966-T3 | Inducers of apoptosis for the treatment of cancer and immune and autoimmune diseases | 20111014 |
JP-2014530237-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
JP-2017061535-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
JP-6049738-B2 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
JP-6337068-B2 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
KR-102056587-B1 | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 20111014 |
RU-2594282-C2 | Agents causing apoptosis and intended for treating cancer, immune and autoimmune diseases | 20111014 |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.1852581 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.1852581 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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