1-[2-(Methylsulfonyl)ethyl]-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1083168-89-1
Catalog: |
BB002244 |
Product Name: |
1-[2-(Methylsulfonyl)ethyl]-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1083168-89-1 |
Synonyms: |
1-(2-methylsulfonylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-(2-methylsulfonylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-(2-methylsulfonylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-[2-(Methylsulfonyl)ethyl]-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1083168-89-1 ) is a useful research chemical. |
Molecular Weight: | 327.20 |
Molecular Formula: | C14H22NO5SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)CCS(=O)(=O)C |
InChI: | InChI=1S/C14H22BNO5S/c1-13(2)14(3,4)21-15(20-13)11-6-7-12(17)16(10-11)8-9-22(5,18)19/h6-7,10H,8-9H2,1-5H3 |
InChI Key: | IZPSNMTYOLTMTO-UHFFFAOYSA-N |
LogP: | 1.27290 |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
JP-2021518384-A | A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2008251504-A1 | Modulators of CFTR | 20070509 |
Complexity: | 614 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.1311741000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.1311741000001 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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