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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Inquiry

Molecular Formula:

C23H36BF3N2O2Si

Molecular Weight:

468.44

Product Information

Molecular Formula:

C23H36BF3N2O2Si

Molecular Weight:

468.44

Description

4- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -5- (trifluoromethyl) -1- (trisopropylsilyl) -1H pyrrolo [2,3-b] pyridine has shown good pharmacological properties in drug discovery for various diseases, including cancer, inflammation, and neurological diseases.

Synonyms

tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridine

IUPAC Name

tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=NC=C2C(F)(F)F)[Si](C(C)C)(C(C)C)C(C)C

InChI

InChI=1S/C23H36BF3N2O2Si/c1-14(2)32(15(3)4,16(5)6)29-12-11-17-19(18(23(25,26)27)13-28-20(17)29)24-30-21(7,8)22(9,10)31-24/h11-16H,1-10H3

InChI Key

XUSPWBWOHQXHKS-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

468.2591196 g/mol

Monoisotopic Mass

468.2591196 g/mol

Topological Polar Surface Area

36.3Å²

Heavy Atom Count

Formal Charge

Complexity

649

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Product Information

Computed Properties

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