5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C22H35BClIN2O2Si
Molecular Weight
560.78
Description
5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine is a fascinating and intricate compound that holds immense significance in the realm of biomedicine. Its utilization in the drug development of multifarious diseases stems from its remarkable potential in selectively targeting receptors implicated in the progression of specific cancers and neurological ailments. The distinctive molecular architecture possessed by this compound renders it a compelling subject for extensive exploration within the domain of drug development.
Synonyms
[5-chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane; 5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name
[5-chloro-6-iodo-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)I)[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C22H35BClIN2O2Si/c1-13(2)30(14(3)4,15(5)6)27-12-11-16-17(18(24)19(25)26-20(16)27)23-28-21(7,8)22(9,10)29-23/h11-15H,1-10H3
InChI Key
HACHMEZZKVDXHV-UHFFFAOYSA-N
Flash Point
Not applicable
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
560.12941 g/mol
Monoisotopic Mass
560.12941 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
599
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
