6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C13H9BrF2N4 — CID 79947018

IUPAC6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFc1ccc(F)c(CNc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C13H9BrF2N4/c14-11-7-20-4-3-17-13(20)12(19-11)18-6-8-5-9(15)1-2-10(8)16/h1-5,7H,6H2,(H,18,19)
InChIKeyFYGDXCUIPXEHNB-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.38
Rot. Bonds3

About 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79947018) has the molecular formula C13H9BrF2N4 and a molecular weight of 339.14 g/mol. Its IUPAC name is 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79947018
Molecular FormulaC13H9BrF2N4
Molecular Weight339.14 g/mol
Exact Mass338.00
IUPAC Name6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFc1ccc(F)c(CNc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C13H9BrF2N4/c14-11-7-20-4-3-17-13(20)12(19-11)18-6-8-5-9(15)1-2-10(8)16/h1-5,7H,6H2,(H,18,19)
InChIKeyFYGDXCUIPXEHNB-UHFFFAOYSA-N
XLogP3.38
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 79947018) is 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is Fc1ccc(F)c(CNc2nc(Br)cn3ccnc23)c1.
What is the InChIKey of 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FYGDXCUIPXEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N4/c14-11-7-20-4-3-17-13(20)12(19-11)18-6-8-5-9(15)1-2-10(8)16/h1-5,7H,6H2,(H,18,19).
What are the key properties of 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 339.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79947018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).