3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one

C10H7ClIN3O — CID 16743592

IUPAC3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
SMILESO=C1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C10H7ClIN3O/c11-8-7-9(12)14-10(5-3-6(16)4-5)15(7)2-1-13-8/h1-2,5H,3-4H2
InChIKeyXFWUCHZFVXFZGF-UHFFFAOYSA-N
MW347.54 g/mol
LogP2.43
Rot. Bonds1

About 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one

3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one (PubChem CID 16743592) has the molecular formula C10H7ClIN3O and a molecular weight of 347.54 g/mol. Its IUPAC name is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
PubChem CID16743592
Molecular FormulaC10H7ClIN3O
Molecular Weight347.54 g/mol
Exact Mass346.93
IUPAC Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
SMILESO=C1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C10H7ClIN3O/c11-8-7-9(12)14-10(5-3-6(16)4-5)15(7)2-1-13-8/h1-2,5H,3-4H2
InChIKeyXFWUCHZFVXFZGF-UHFFFAOYSA-N
XLogP2.43
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The IUPAC name of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one (CID 16743592) is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The canonical SMILES for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one is O=C1CC(c2nc(I)c3c(Cl)nccn23)C1.
What is the InChIKey of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
The InChIKey is XFWUCHZFVXFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3O/c11-8-7-9(12)14-10(5-3-6(16)4-5)15(7)2-1-13-8/h1-2,5H,3-4H2.
What are the key properties of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one?
3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one has a molecular weight of 347.54 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one is sourced from PubChem (CID 16743592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).