2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C21H24BrN5OSi — CID 67457604

IUPAC2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(-c3ccc(Br)cc3)cc3nccn23)cn1
InChIInChI=1S/C21H24BrN5OSi/c1-29(2,3)11-10-28-15-26-14-17(13-24-26)21-25-19(12-20-23-8-9-27(20)21)16-4-6-18(22)7-5-16/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyCHTNDPAPQVFMMN-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.33
Rot. Bonds7

About 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67457604) has the molecular formula C21H24BrN5OSi and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67457604
Molecular FormulaC21H24BrN5OSi
Molecular Weight470.45 g/mol
Exact Mass469.09
IUPAC Name2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(-c3ccc(Br)cc3)cc3nccn23)cn1
InChIInChI=1S/C21H24BrN5OSi/c1-29(2,3)11-10-28-15-26-14-17(13-24-26)21-25-19(12-20-23-8-9-27(20)21)16-4-6-18(22)7-5-16/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyCHTNDPAPQVFMMN-UHFFFAOYSA-N
XLogP5.33
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.33
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-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67457604) is 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2nc(-c3ccc(Br)cc3)cc3nccn23)cn1.
What is the InChIKey of 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CHTNDPAPQVFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5OSi/c1-29(2,3)11-10-28-15-26-14-17(13-24-26)21-25-19(12-20-23-8-9-27(20)21)16-4-6-18(22)7-5-16/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 470.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[7-(4-bromophenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67457604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).