(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine

C15H14BrFN4 — CID 81350644

IUPAC(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN4/c1-10(11-2-4-12(17)5-3-11)18-6-13-7-20-15-8-19-14(16)9-21(13)15/h2-5,7-10,18H,6H2,1H3/t10-/m0/s1
InChIKeyFEAYGUMUUSUETJ-JTQLQIEISA-N
MW349.21 g/mol
LogP3.48
Rot. Bonds4

About (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81350644) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81350644
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)c1ccc(F)cc1
InChIInChI=1S/C15H14BrFN4/c1-10(11-2-4-12(17)5-3-11)18-6-13-7-20-15-8-19-14(16)9-21(13)15/h2-5,7-10,18H,6H2,1H3/t10-/m0/s1
InChIKeyFEAYGUMUUSUETJ-JTQLQIEISA-N
XLogP3.48
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407048
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 79165689
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79164568
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945103
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
CID 79177055
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
6-bromo-3-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 89429108

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81350644) is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@H](NCc1cnc2cnc(Br)cn12)c1ccc(F)cc1.
What is the InChIKey of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is FEAYGUMUUSUETJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrFN4/c1-10(11-2-4-12(17)5-3-11)18-6-13-7-20-15-8-19-14(16)9-21(13)15/h2-5,7-10,18H,6H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 349.21 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81350644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).