4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline

C13H9Br2FN4 — CID 79177055

IUPAC4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9Br2FN4/c14-8-1-2-11(10(16)3-8)17-4-9-5-19-13-6-18-12(15)7-20(9)13/h1-3,5-7,17H,4H2
InChIKeyQMPDOQOYSNHNBF-UHFFFAOYSA-N
MW400.05 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline

4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline (PubChem CID 79177055) has the molecular formula C13H9Br2FN4 and a molecular weight of 400.05 g/mol. Its IUPAC name is 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
PubChem CID79177055
Molecular FormulaC13H9Br2FN4
Molecular Weight400.05 g/mol
Exact Mass397.92
IUPAC Name4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9Br2FN4/c14-8-1-2-11(10(16)3-8)17-4-9-5-19-13-6-18-12(15)7-20(9)13/h1-3,5-7,17H,4H2
InChIKeyQMPDOQOYSNHNBF-UHFFFAOYSA-N
XLogP4.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
CID 79175921
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
CID 79164556
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1H-indazol-7-amine
CID 79165280
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
CID 79165688
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
4-bromo-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63203814
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline (CID 79177055) is 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline is Fc1cc(Br)ccc1NCc1cnc2cnc(Br)cn12.
What is the InChIKey of 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline?
The InChIKey is QMPDOQOYSNHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN4/c14-8-1-2-11(10(16)3-8)17-4-9-5-19-13-6-18-12(15)7-20(9)13/h1-3,5-7,17H,4H2.
What are the key properties of 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline?
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline has a molecular weight of 400.05 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 79177055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).