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

C13H9BrF2N4 — CID 79164556

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2cnc3cnc(Br)cn23)c1F
InChIInChI=1S/C13H9BrF2N4/c14-11-7-20-8(5-19-12(20)6-18-11)4-17-10-3-1-2-9(15)13(10)16/h1-3,5-7,17H,4H2
InChIKeyFLFJUPNMTLFXEN-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.38
Rot. Bonds3

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline (PubChem CID 79164556) has the molecular formula C13H9BrF2N4 and a molecular weight of 339.14 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
PubChem CID79164556
Molecular FormulaC13H9BrF2N4
Molecular Weight339.14 g/mol
Exact Mass338.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
SMILESFc1cccc(NCc2cnc3cnc(Br)cn23)c1F
InChIInChI=1S/C13H9BrF2N4/c14-11-7-20-8(5-19-12(20)6-18-11)4-17-10-3-1-2-9(15)13(10)16/h1-3,5-7,17H,4H2
InChIKeyFLFJUPNMTLFXEN-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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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
CID 79175921
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
CID 79177055
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1H-indazol-7-amine
CID 79165280
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
CID 79164376
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
CID 79165688
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine
CID 107584721
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline (CID 79164556) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline is Fc1cccc(NCc2cnc3cnc(Br)cn23)c1F.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline?
The InChIKey is FLFJUPNMTLFXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N4/c14-11-7-20-8(5-19-12(20)6-18-11)4-17-10-3-1-2-9(15)13(10)16/h1-3,5-7,17H,4H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline 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 N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline is sourced from PubChem (CID 79164556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).