1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine

C14H11Br2FN4 — CID 79166858

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
SMILESFc1ccc(Br)cc1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H11Br2FN4/c15-10-1-2-12(17)9(3-10)4-18-5-11-6-20-14-7-19-13(16)8-21(11)14/h1-3,6-8,18H,4-5H2
InChIKeyQWMXIYTYAHFISX-UHFFFAOYSA-N
MW414.08 g/mol
LogP3.68
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine

1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine (PubChem CID 79166858) has the molecular formula C14H11Br2FN4 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
PubChem CID79166858
Molecular FormulaC14H11Br2FN4
Molecular Weight414.08 g/mol
Exact Mass411.93
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
SMILESFc1ccc(Br)cc1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H11Br2FN4/c15-10-1-2-12(17)9(3-10)4-18-5-11-6-20-14-7-19-13(16)8-21(11)14/h1-3,6-8,18H,4-5H2
InChIKeyQWMXIYTYAHFISX-UHFFFAOYSA-N
XLogP3.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.08
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
CID 79177055
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
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
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
1-(5-bromo-2-fluorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]methanamine
CID 106936664
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine (CID 79166858) is 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine is Fc1ccc(Br)cc1CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine?
The InChIKey is QWMXIYTYAHFISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN4/c15-10-1-2-12(17)9(3-10)4-18-5-11-6-20-14-7-19-13(16)8-21(11)14/h1-3,6-8,18H,4-5H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine?
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine has a molecular weight of 414.08 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine is sourced from PubChem (CID 79166858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).