1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C19H21BN2O4S
Molecular Weight
384.262
Description
1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, an intricate organic molecule, is primarily deployed in specialized domains of medicinal research. It helps the synthesis of kinase inhibitors and thus promotes the research on the resistance of malignant tumors.
Synonyms
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 1H-pyrrolo[2,3-b]pyridine
IUPAC Name
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
InChI Key
KZANVIJXSQABKR-UHFFFAOYSA-N
Melting Point
355-360 °C
Flash Point
Not applicable
Purity
97.0%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
384.1315085 g/mol
Monoisotopic Mass
384.1315085 g/mol
Topological Polar Surface Area
78.8Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
641
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
