3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol

C11H11ClIN3O — CID 53328620

IUPAC3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11ClIN3O/c1-11(17)4-6(5-11)10-15-9(13)7-8(12)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3
InChIKeyLVURRLOPVIUNND-UHFFFAOYSA-N
MW363.59 g/mol
LogP2.62
Rot. Bonds1

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

3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol (PubChem CID 53328620) has the molecular formula C11H11ClIN3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
PubChem CID53328620
Molecular FormulaC11H11ClIN3O
Molecular Weight363.59 g/mol
Exact Mass362.96
IUPAC Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11ClIN3O/c1-11(17)4-6(5-11)10-15-9(13)7-8(12)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3
InChIKeyLVURRLOPVIUNND-UHFFFAOYSA-N
XLogP2.62
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 52.62
H-Bond Donors ≤ 51
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)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol (CID 53328620) is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(I)c3c(Cl)nccn23)C1.
What is the InChIKey of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
The InChIKey is LVURRLOPVIUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3O/c1-11(17)4-6(5-11)10-15-9(13)7-8(12)14-2-3-16(7)10/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol?
3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol has a molecular weight of 363.59 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 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)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 53328620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).