2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H19BrClFN4OSi — CID 164594211

IUPAC2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Cl)nc1-c1ncn2c(F)c(Br)ccc12
InChIInChI=1S/C16H19BrClFN4OSi/c1-25(2,3)7-6-24-10-22-8-13(18)21-16(22)14-12-5-4-11(17)15(19)23(12)9-20-14/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyMCFUUVXHHLEBGF-UHFFFAOYSA-N
MW445.80 g/mol
LogP5.07
Rot. Bonds6

About 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164594211) has the molecular formula C16H19BrClFN4OSi and a molecular weight of 445.80 g/mol. Its IUPAC name is 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164594211
Molecular FormulaC16H19BrClFN4OSi
Molecular Weight445.80 g/mol
Exact Mass444.02
IUPAC Name2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Cl)nc1-c1ncn2c(F)c(Br)ccc12
InChIInChI=1S/C16H19BrClFN4OSi/c1-25(2,3)7-6-24-10-22-8-13(18)21-16(22)14-12-5-4-11(17)15(19)23(12)9-20-14/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyMCFUUVXHHLEBGF-UHFFFAOYSA-N
XLogP5.07
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.80
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164594211) is 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(Cl)nc1-c1ncn2c(F)c(Br)ccc12.
What is the InChIKey of 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MCFUUVXHHLEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClFN4OSi/c1-25(2,3)7-6-24-10-22-8-13(18)21-16(22)14-12-5-4-11(17)15(19)23(12)9-20-14/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 445.80 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164594211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).