4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol

C16H9BrClN3O2 — CID 137372677

IUPAC4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol
SMILESOc1ccc(-c2c(-c3ccco3)nc(Br)c3nccn23)cc1Cl
InChIInChI=1S/C16H9BrClN3O2/c17-15-16-19-5-6-21(16)14(9-3-4-11(22)10(18)8-9)13(20-15)12-2-1-7-23-12/h1-8,22H
InChIKeyXKVMKBPRNGAEEJ-UHFFFAOYSA-N
MW390.62 g/mol
LogP4.78
Rot. Bonds2

About 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol

4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol (PubChem CID 137372677) has the molecular formula C16H9BrClN3O2 and a molecular weight of 390.62 g/mol. Its IUPAC name is 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol
PubChem CID137372677
Molecular FormulaC16H9BrClN3O2
Molecular Weight390.62 g/mol
Exact Mass388.96
IUPAC Name4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol
SMILESOc1ccc(-c2c(-c3ccco3)nc(Br)c3nccn23)cc1Cl
InChIInChI=1S/C16H9BrClN3O2/c17-15-16-19-5-6-21(16)14(9-3-4-11(22)10(18)8-9)13(20-15)12-2-1-7-23-12/h1-8,22H
InChIKeyXKVMKBPRNGAEEJ-UHFFFAOYSA-N
XLogP4.78
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol?
The IUPAC name of 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol (CID 137372677) is 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol.
What is the SMILES notation for 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol?
The canonical SMILES for 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol is Oc1ccc(-c2c(-c3ccco3)nc(Br)c3nccn23)cc1Cl.
What is the InChIKey of 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol?
The InChIKey is XKVMKBPRNGAEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClN3O2/c17-15-16-19-5-6-21(16)14(9-3-4-11(22)10(18)8-9)13(20-15)12-2-1-7-23-12/h1-8,22H.
What are the key properties of 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol?
4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol has a molecular weight of 390.62 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-bromo-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol is sourced from PubChem (CID 137372677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).