6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

C13H10BrFN4 — CID 79958774

IUPAC6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1c(F)cccc1Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H10BrFN4/c1-8-9(15)3-2-4-10(8)17-12-13-16-5-6-19(13)7-11(14)18-12/h2-7H,1H3,(H,17,18)
InChIKeyWHKKVHJBOLKOSZ-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.68
Rot. Bonds2

About 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79958774) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID79958774
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1c(F)cccc1Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H10BrFN4/c1-8-9(15)3-2-4-10(8)17-12-13-16-5-6-19(13)7-11(14)18-12/h2-7H,1H3,(H,17,18)
InChIKeyWHKKVHJBOLKOSZ-UHFFFAOYSA-N
XLogP3.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 79958774) is 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1c(F)cccc1Nc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WHKKVHJBOLKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c1-8-9(15)3-2-4-10(8)17-12-13-16-5-6-19(13)7-11(14)18-12/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 321.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79958774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).