5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C14H19BN2O2
Molecular Weight
258.13
Description
5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is a compound extensively employed in the biomedical sector, exhibits remarkable pharmaceutic efficacy against diverse ailments. Its capacity to selectively target intricate molecular cascades implicated in malignant growth render it an immensely propitious aspirant for anti-oncogenic interventions.
Synonyms
5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 1198096-23-9; 5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; AC1Q2OI6; CTK4B1504
IUPAC Name
5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=NC=C(C=C23)C
InChI
InChI=1S/C14H19BN2O2/c1-9-6-10-11(8-17-12(10)16-7-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key
VVQUQQDNKMKSCI-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
258.1539580 g/mol
Monoisotopic Mass
258.1539580 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
345
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
