[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane

C17H25ClIN3OSi — CID 154084227

IUPAC[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESC[SiH](C)OC(C1CC(c2nc(I)c3c(Cl)nccn23)C1)C(C)(C)C
InChIInChI=1S/C17H25ClIN3OSi/c1-17(2,3)13(23-24(4)5)10-8-11(9-10)16-21-15(19)12-14(18)20-6-7-22(12)16/h6-7,10-11,13,24H,8-9H2,1-5H3
InChIKeyNEUNWEUINKSDOJ-UHFFFAOYSA-N
MW477.85 g/mol
LogP4.90
Rot. Bonds4

About [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane

[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane (PubChem CID 154084227) has the molecular formula C17H25ClIN3OSi and a molecular weight of 477.85 g/mol. Its IUPAC name is [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane.

Molecular Properties

Compound Name[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane
PubChem CID154084227
Molecular FormulaC17H25ClIN3OSi
Molecular Weight477.85 g/mol
Exact Mass477.05
IUPAC Name[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane
SMILESC[SiH](C)OC(C1CC(c2nc(I)c3c(Cl)nccn23)C1)C(C)(C)C
InChIInChI=1S/C17H25ClIN3OSi/c1-17(2,3)13(23-24(4)5)10-8-11(9-10)16-21-15(19)12-14(18)20-6-7-22(12)16/h6-7,10-11,13,24H,8-9H2,1-5H3
InChIKeyNEUNWEUINKSDOJ-UHFFFAOYSA-N
XLogP4.90
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.85
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde
CID 163730469
8-chloro-3-cyclohexyl-1-methylimidazo[1,5-a]pyrazine
CID 143744436
8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane
CID 143541254
3-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
CID 143744477
1-bromo-8-chloro-3-methylimidazo[1,5-a]pyrazine;ethane
CID 145329681
8-chloro-3-(3-fluorocyclobutyl)imidazo[1,5-a]pyrazine
CID 130348895
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 66738299
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
CID 88907381
[3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl] ethaneperoxoate
CID 87391185
3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-ol
CID 89361635
8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763

Frequently Asked Questions

What is the IUPAC name of [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane?
The IUPAC name of [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane (CID 154084227) is [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane.
What is the SMILES notation for [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane?
The canonical SMILES for [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane is C[SiH](C)OC(C1CC(c2nc(I)c3c(Cl)nccn23)C1)C(C)(C)C.
What is the InChIKey of [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane?
The InChIKey is NEUNWEUINKSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClIN3OSi/c1-17(2,3)13(23-24(4)5)10-8-11(9-10)16-21-15(19)12-14(18)20-6-7-22(12)16/h6-7,10-11,13,24H,8-9H2,1-5H3.
What are the key properties of [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane?
[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane has a molecular weight of 477.85 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane is sourced from PubChem (CID 154084227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).