8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine

C12H9BrFN5 — CID 80754857

IUPAC8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H9BrFN5/c13-8-5-7(14)1-2-9(8)17-11-12-16-3-4-19(12)6-10(15)18-11/h1-6H,15H2,(H,17,18)
InChIKeyQBJORAWBZZXCTD-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.96
Rot. Bonds2

About 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine

8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80754857) has the molecular formula C12H9BrFN5 and a molecular weight of 322.14 g/mol. Its IUPAC name is 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80754857
Molecular FormulaC12H9BrFN5
Molecular Weight322.14 g/mol
Exact Mass321.00
IUPAC Name8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H9BrFN5/c13-8-5-7(14)1-2-9(8)17-11-12-16-3-4-19(12)6-10(15)18-11/h1-6H,15H2,(H,17,18)
InChIKeyQBJORAWBZZXCTD-UHFFFAOYSA-N
XLogP2.96
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80754857) is 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine is Nc1cn2ccnc2c(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is QBJORAWBZZXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5/c13-8-5-7(14)1-2-9(8)17-11-12-16-3-4-19(12)6-10(15)18-11/h1-6H,15H2,(H,17,18).
What are the key properties of 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 322.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80754857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).