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

C14H11BrF2N4 — CID 79166111

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
SMILESFc1ccc(F)c(CNCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C14H11BrF2N4/c15-13-8-21-11(6-20-14(21)7-19-13)5-18-4-9-3-10(16)1-2-12(9)17/h1-3,6-8,18H,4-5H2
InChIKeyHFCQACPRBMFVLU-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.06
Rot. Bonds4

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine (PubChem CID 79166111) has the molecular formula C14H11BrF2N4 and a molecular weight of 353.17 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
PubChem CID79166111
Molecular FormulaC14H11BrF2N4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
SMILESFc1ccc(F)c(CNCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C14H11BrF2N4/c15-13-8-21-11(6-20-14(21)7-19-13)5-18-4-9-3-10(16)1-2-12(9)17/h1-3,6-8,18H,4-5H2
InChIKeyHFCQACPRBMFVLU-UHFFFAOYSA-N
XLogP3.06
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
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
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-(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
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
CID 79548562
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine (CID 79166111) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine is Fc1ccc(F)c(CNCc2cnc3cnc(Br)cn23)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine?
The InChIKey is HFCQACPRBMFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N4/c15-13-8-21-11(6-20-14(21)7-19-13)5-18-4-9-3-10(16)1-2-12(9)17/h1-3,6-8,18H,4-5H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine has a molecular weight of 353.17 g/mol, XLogP of 3.06, 4 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]-1-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 79166111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).