2-Oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester - CAS 1207623-97-9
Catalog: |
BB004967 |
Product Name: |
2-Oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester |
CAS: |
1207623-97-9 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one |
Description: | 2-Oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester (CAS# 1207623-97-9) is a useful research chemical. |
Molecular Weight: | 260.10 |
Molecular Formula: | C13H17N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NC(=O)C3)N=C2 |
InChI: | InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-8-6-10(17)16-11(8)15-7-9/h5,7H,6H2,1-4H3,(H,15,16,17) |
InChI Key: | SQTORENJRGJAKX-UHFFFAOYSA-N |
MDL: | MFCD16995984 |
LogP: | 0.96050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021159993-A1 | Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof | 20200214 |
US-2019112290-A1 | Inhibitors of wdr5 protein-protein binding | 20160301 |
JP-2018512399-A | Tricyclic DLK inhibitors and uses thereof | 20150309 |
JP-6701225-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
US-10131675-B2 | Tricyclic DLK inhibitors and uses thereof | 20150309 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.1332226 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.1332226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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