trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C22H33BN4O3SSi — CID 162491561

IUPACtrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C22H33BN4O3SSi/c1-15-25-26-20(31-15)18-10-9-16-17(23-29-21(2,3)22(4,5)30-23)13-27(19(16)24-18)14-28-11-12-32(6,7)8/h9-10,13H,11-12,14H2,1-8H3
InChIKeyVVWGGGALQPJIRF-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.47
Rot. Bonds7

About trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 162491561) has the molecular formula C22H33BN4O3SSi and a molecular weight of 472.50 g/mol. Its IUPAC name is trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID162491561
Molecular FormulaC22H33BN4O3SSi
Molecular Weight472.50 g/mol
Exact Mass472.21
IUPAC Nametrimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nnc(-c2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(COCC[Si](C)(C)C)c3n2)s1
InChIInChI=1S/C22H33BN4O3SSi/c1-15-25-26-20(31-15)18-10-9-16-17(23-29-21(2,3)22(4,5)30-23)13-27(19(16)24-18)14-28-11-12-32(6,7)8/h9-10,13H,11-12,14H2,1-8H3
InChIKeyVVWGGGALQPJIRF-UHFFFAOYSA-N
XLogP4.47
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 162491561) is trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1nnc(-c2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(COCC[Si](C)(C)C)c3n2)s1.
What is the InChIKey of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is VVWGGGALQPJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BN4O3SSi/c1-15-25-26-20(31-15)18-10-9-16-17(23-29-21(2,3)22(4,5)30-23)13-27(19(16)24-18)14-28-11-12-32(6,7)8/h9-10,13H,11-12,14H2,1-8H3.
What are the key properties of trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 472.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 162491561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).