N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline

C13H9BrClFN4 — CID 79175921

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9BrClFN4/c14-12-7-20-9(5-19-13(20)6-18-12)4-17-11-3-8(15)1-2-10(11)16/h1-3,5-7,17H,4H2
InChIKeyDQIPKEVRBMUXHV-UHFFFAOYSA-N
MW355.60 g/mol
LogP3.90
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline (PubChem CID 79175921) has the molecular formula C13H9BrClFN4 and a molecular weight of 355.60 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
PubChem CID79175921
Molecular FormulaC13H9BrClFN4
Molecular Weight355.60 g/mol
Exact Mass353.97
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C13H9BrClFN4/c14-12-7-20-9(5-19-13(20)6-18-12)4-17-11-3-8(15)1-2-10(11)16/h1-3,5-7,17H,4H2
InChIKeyDQIPKEVRBMUXHV-UHFFFAOYSA-N
XLogP3.90
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 53.90
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-methylaniline
CID 79175722
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]-2,3-difluoroaniline
CID 79164556
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
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]-1H-indazol-7-amine
CID 79165280
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
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline (CID 79175921) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline is Fc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline?
The InChIKey is DQIPKEVRBMUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN4/c14-12-7-20-9(5-19-13(20)6-18-12)4-17-11-3-8(15)1-2-10(11)16/h1-3,5-7,17H,4H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline has a molecular weight of 355.60 g/mol, XLogP of 3.90, 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]-5-chloro-2-fluoroaniline is sourced from PubChem (CID 79175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).