2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C17H23BrN4OSi — CID 164594746

IUPAC2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cnc(-c2ncn3cc(Br)ccc23)n1COCC[Si](C)(C)C
InChIInChI=1S/C17H23BrN4OSi/c1-13-9-19-17(22(13)12-23-7-8-24(2,3)4)16-15-6-5-14(18)10-21(15)11-20-16/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyCAOHIDAKQMRDPA-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.58
Rot. Bonds6

About 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164594746) has the molecular formula C17H23BrN4OSi and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164594746
Molecular FormulaC17H23BrN4OSi
Molecular Weight407.39 g/mol
Exact Mass406.08
IUPAC Name2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cnc(-c2ncn3cc(Br)ccc23)n1COCC[Si](C)(C)C
InChIInChI=1S/C17H23BrN4OSi/c1-13-9-19-17(22(13)12-23-7-8-24(2,3)4)16-15-6-5-14(18)10-21(15)11-20-16/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyCAOHIDAKQMRDPA-UHFFFAOYSA-N
XLogP4.58
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
CID 164594867
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594211
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 10700609
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
CID 101222703
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164594746) is 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cnc(-c2ncn3cc(Br)ccc23)n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CAOHIDAKQMRDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4OSi/c1-13-9-19-17(22(13)12-23-7-8-24(2,3)4)16-15-6-5-14(18)10-21(15)11-20-16/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 407.39 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromoimidazo[1,5-a]pyridin-1-yl)-5-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164594746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).