3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol

C11H11BrClN3O — CID 53328622

IUPAC3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(Br)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11BrClN3O/c1-11(17)4-6(5-11)10-15-8(12)7-9(13)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3
InChIKeyBHANQQWNLCKMCA-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.77
Rot. Bonds1

About 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol

3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol (PubChem CID 53328622) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
PubChem CID53328622
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(Br)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11BrClN3O/c1-11(17)4-6(5-11)10-15-8(12)7-9(13)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3
InChIKeyBHANQQWNLCKMCA-UHFFFAOYSA-N
XLogP2.77
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutanone
CID 16119327
8-Chloro-3-cyclobutylimidazo[1,5-a]pyrazine
CID 42609363
3-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328619
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328620
3-(8-Chloroimidazo[1,5-A]pyrazin-3-YL)cyclobutanone
CID 53328621
cis-3-(8-Amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328623
3-(8-Amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
CID 53328977
1-Bromo-8-chloro-3-cyclobutylimidazo[1,5-A]pyrazine
CID 57680978
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutanol
CID 57680987
(3-(8-Chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutyl)methanol
CID 57681011
[3-(8-Chloro-1-iodo-imidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-methanol
CID 57681020
3-(8-Chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutanol
CID 57681055

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol (CID 53328622) is 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(Br)c3c(Cl)nccn23)C1.
What is the InChIKey of 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
The InChIKey is BHANQQWNLCKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-11(17)4-6(5-11)10-15-8(12)7-9(13)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol has a molecular weight of 316.59 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 53328622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).