1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one
Product Information
Molecular Formula
C12H18BNO3
Molecular Weight
235.09
Description
1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one is a specialized pharmaceutical intermediate often used in drug synthesis. This compound contributes to the creation of biologically active molecules, primarily serving in the development process of anti-cancer drugs.
Synonyms
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one; 1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one; N-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID, PINACOL ESTER; 1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one; 1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol ester
IUPAC Name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
InChI Key
IJUNZKOKAXJGRQ-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
235.1379736 g/mol
Monoisotopic Mass
235.1379736 g/mol
Topological Polar Surface Area
38.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
396
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022042591-A1 | Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof | 2020-08-26 |
| EP-3950683-A1 | Difluoromethyl-pyridin-2-yl triazoles | 2020-08-05 |
| WO-2022029170-A1 | Difluoromethyl-pyridin-2-yl triazoles | 2020-08-05 |
| CN-113754682-A | Compounds having macrocyclic structure and uses thereof | 2020-06-04 |
| WO-2021222556-A1 | PI3K-α INHIBITORS AND METHODS OF USE THEREOF | 2020-04-29 |
| US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021142252-A1 | Tricyclic compounds as inhibitors of kras | 2020-01-10 |
| WO-2021105960-A1 | Substituted tricyclic compounds | 2019-11-29 |
| WO-2021067569-A1 | Substituted 1, 6-naphthyridine inhibitors of cdk5 | 2019-10-01 |
| CN-112574189-A | EP300/CBP inhibitor | 2019-09-27 |
