3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine
Product Information
Molecular Formula
C13H18BN3O2
Molecular Weight
259.12
Description
3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine is an extensively investigated biomedical compound. It holds promise as an active pharmaceutical ingredient to combat diverse ailments.
Synonyms
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine; 3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine; 1257554-02-1; AC1Q3Z2I; SCHEMBL2035636; CTK6I3410
IUPAC Name
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C=N3)C
InChI
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-6-10-11(15-7-9)17(5)8-16-10/h6-8H,1-5H3
InChI Key
NPIHDNDJLVIFGB-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
259.1492070 g/mol
Monoisotopic Mass
259.1492070 g/mol
Topological Polar Surface Area
49.2Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
348
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 |
|---|---|---|
| US-2020207758-A1 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 2017-06-27 |
| WO-2019000236-A1 | ALLOSTERIC MODULATORS OF 3- (1H-PYRAZOL-4-YL) PYRIDINE FROM THE M4 ACETYLCHOLINE MUSCARINIC RECEPTOR | 2017-06-27 |
| US-11149036-B2 | 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor | 2017-06-27 |
| EA-037563-B1 | NEW (HETERO) ARYL-SUBSTITUTED PIPERIDINYL DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | 2016-12-28 |
| EP-3468971-B1 | New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 2016-06-10 |
| KR-102003532-B1 | Novel (hetero) aryl-substituted-piperidinyl derivatives, methods for their preparation and pharmaceutical compositions containing them | 2016-06-10 |
| KR-20190017032-A | Novel (hetero) aryl-substituted-piperidinyl derivatives, methods for their preparation and pharmaceutical compositions containing them | 2016-06-10 |
| US-10654849-B2 | (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 2016-06-10 |
| US-2019144449-A1 | (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 2016-06-10 |
