5-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C22H36BClN2O2Si
Molecular Weight
434.89
Description
5-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine is a highly potent and multifaceted compound. With its remarkable ability to selectively target and modulate key proteins associated with cancer and inflammation, this compound presents an unprecedented opportunity in precision medicine. Robust preclinical studies have demonstrated its proficiency as a kinase inhibitor, yielding encouraging outcomes.
Synonyms
5-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 5-Chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-boronic acid pinacol ester
IUPAC Name
[5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=NC=C2Cl)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C22H36BClN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChI Key
SDKUECRBPCPNKK-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
434.2327628 g/mol
Monoisotopic Mass
434.2327628 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
564
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
