2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H20BrClN4OSi — CID 123539865

IUPAC2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2c[nH]c3cnc(Br)cc23)c(Cl)n1
InChIInChI=1S/C16H20BrClN4OSi/c1-24(2,3)5-4-23-10-22-9-13(16(18)21-22)12-7-19-14-8-20-15(17)6-11(12)14/h6-9,19H,4-5,10H2,1-3H3
InChIKeyHFGHXIYBHGNTHH-UHFFFAOYSA-N
MW427.81 g/mol
LogP5.15
Rot. Bonds6

About 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123539865) has the molecular formula C16H20BrClN4OSi and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123539865
Molecular FormulaC16H20BrClN4OSi
Molecular Weight427.81 g/mol
Exact Mass426.03
IUPAC Name2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2c[nH]c3cnc(Br)cc23)c(Cl)n1
InChIInChI=1S/C16H20BrClN4OSi/c1-24(2,3)5-4-23-10-22-9-13(16(18)21-22)12-7-19-14-8-20-15(17)6-11(12)14/h6-9,19H,4-5,10H2,1-3H3
InChIKeyHFGHXIYBHGNTHH-UHFFFAOYSA-N
XLogP5.15
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11802011
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123539865) is 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2c[nH]c3cnc(Br)cc23)c(Cl)n1.
What is the InChIKey of 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HFGHXIYBHGNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN4OSi/c1-24(2,3)5-4-23-10-22-9-13(16(18)21-22)12-7-19-14-8-20-15(17)6-11(12)14/h6-9,19H,4-5,10H2,1-3H3.
What are the key properties of 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 427.81 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123539865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).