2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C21H23ClFN5OSi — CID 150246526

IUPAC2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C21H23ClFN5OSi/c1-30(2,3)11-10-29-14-27-13-16(19-6-7-20-24-8-9-28(20)25-19)21(26-27)15-4-5-18(23)17(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyFYQAGQMEXJIXBM-UHFFFAOYSA-N
MW443.99 g/mol
LogP5.36
Rot. Bonds7

About 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150246526) has the molecular formula C21H23ClFN5OSi and a molecular weight of 443.99 g/mol. Its IUPAC name is 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150246526
Molecular FormulaC21H23ClFN5OSi
Molecular Weight443.99 g/mol
Exact Mass443.13
IUPAC Name2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C21H23ClFN5OSi/c1-30(2,3)11-10-29-14-27-13-16(19-6-7-20-24-8-9-28(20)25-19)21(26-27)15-4-5-18(23)17(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyFYQAGQMEXJIXBM-UHFFFAOYSA-N
XLogP5.36
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.99
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 150246526) is 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FYQAGQMEXJIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5OSi/c1-30(2,3)11-10-29-14-27-13-16(19-6-7-20-24-8-9-28(20)25-19)21(26-27)15-4-5-18(23)17(22)12-15/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 443.99 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chloro-4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150246526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).