1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine

C13H8BrClFN3O — CID 167130655

IUPAC1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine
SMILESCOc1nccn2c(-c3c(F)cccc3Cl)nc(Br)c12
InChIInChI=1S/C13H8BrClFN3O/c1-20-13-10-11(14)18-12(19(10)6-5-17-13)9-7(15)3-2-4-8(9)16/h2-6H,1H3
InChIKeyGMYDMMVOTIYZLZ-UHFFFAOYSA-N
MW356.58 g/mol
LogP3.96
Rot. Bonds2

About 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine

1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine (PubChem CID 167130655) has the molecular formula C13H8BrClFN3O and a molecular weight of 356.58 g/mol. Its IUPAC name is 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine
PubChem CID167130655
Molecular FormulaC13H8BrClFN3O
Molecular Weight356.58 g/mol
Exact Mass354.95
IUPAC Name1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine
SMILESCOc1nccn2c(-c3c(F)cccc3Cl)nc(Br)c12
InChIInChI=1S/C13H8BrClFN3O/c1-20-13-10-11(14)18-12(19(10)6-5-17-13)9-7(15)3-2-4-8(9)16/h2-6H,1H3
InChIKeyGMYDMMVOTIYZLZ-UHFFFAOYSA-N
XLogP3.96
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine (CID 167130655) is 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine is COc1nccn2c(-c3c(F)cccc3Cl)nc(Br)c12.
What is the InChIKey of 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine?
The InChIKey is GMYDMMVOTIYZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3O/c1-20-13-10-11(14)18-12(19(10)6-5-17-13)9-7(15)3-2-4-8(9)16/h2-6H,1H3.
What are the key properties of 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine?
1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine has a molecular weight of 356.58 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chloro-6-fluorophenyl)-8-methoxyimidazo[1,5-a]pyrazine is sourced from PubChem (CID 167130655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).