8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine

C12H7BrF2N4O — CID 107102607

IUPAC8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESNc1cn2ccnc2c(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H7BrF2N4O/c13-6-3-7(14)10(15)8(4-6)20-12-11-17-1-2-19(11)5-9(16)18-12/h1-5H,16H2
InChIKeyATNDBRXGIQWLKH-UHFFFAOYSA-N
MW341.12 g/mol
LogP3.14
Rot. Bonds2

About 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine

8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 107102607) has the molecular formula C12H7BrF2N4O and a molecular weight of 341.12 g/mol. Its IUPAC name is 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID107102607
Molecular FormulaC12H7BrF2N4O
Molecular Weight341.12 g/mol
Exact Mass339.98
IUPAC Name8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESNc1cn2ccnc2c(Oc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H7BrF2N4O/c13-6-3-7(14)10(15)8(4-6)20-12-11-17-1-2-19(11)5-9(16)18-12/h1-5H,16H2
InChIKeyATNDBRXGIQWLKH-UHFFFAOYSA-N
XLogP3.14
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.12
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80879807
8-(5-fluoro-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 102989110
8-(4-chloro-3-fluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 82719370
8-(2-iodophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875674
8-(2-methoxy-4-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80880981
8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80874590
8-(2-methyl-5-propan-2-ylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875088
8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80878888
8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyrazin-6-amine
CID 80876110
8-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80863100
8-heptoxyimidazo[1,2-a]pyrazin-6-amine
CID 80861684
8-(3,3-dimethylbutoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80878142

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 107102607) is 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine is Nc1cn2ccnc2c(Oc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is ATNDBRXGIQWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N4O/c13-6-3-7(14)10(15)8(4-6)20-12-11-17-1-2-19(11)5-9(16)18-12/h1-5H,16H2.
What are the key properties of 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine?
8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 341.12 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 107102607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).