2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide

C13H13BrFN5 — CID 107536481

IUPAC2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCn3ccnc3C2)c(F)c1Br
InChIInChI=1S/C13H13BrFN5/c14-11-8(13(16)17)1-2-9(12(11)15)20-6-5-19-4-3-18-10(19)7-20/h1-4H,5-7H2,(H3,16,17)
InChIKeyZQSIKPFWCJUQAG-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.09
Rot. Bonds2

About 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide

2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide (PubChem CID 107536481) has the molecular formula C13H13BrFN5 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide
PubChem CID107536481
Molecular FormulaC13H13BrFN5
Molecular Weight338.18 g/mol
Exact Mass337.03
IUPAC Name2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCn3ccnc3C2)c(F)c1Br
InChIInChI=1S/C13H13BrFN5/c14-11-8(13(16)17)1-2-9(12(11)15)20-6-5-19-4-3-18-10(19)7-20/h1-4H,5-7H2,(H3,16,17)
InChIKeyZQSIKPFWCJUQAG-UHFFFAOYSA-N
XLogP2.09
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[4-(dimethylamino)piperidin-1-yl]-3-fluorobenzenecarboximidamide
CID 107536335
2-bromo-3-fluoro-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 107536352
2-bromo-4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 107536494
2-bromo-3-fluoro-4-(2-methylthiomorpholin-4-yl)benzenecarboximidamide
CID 107536578
2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 107536559
5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
CID 66111141
4-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzenecarboximidamide
CID 114904625
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
CID 81305584
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929913
2-bromo-3-fluoro-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 107536513
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylbenzenecarbothioamide
CID 55149598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide (CID 107536481) is 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCn3ccnc3C2)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is ZQSIKPFWCJUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN5/c14-11-8(13(16)17)1-2-9(12(11)15)20-6-5-19-4-3-18-10(19)7-20/h1-4H,5-7H2,(H3,16,17).
What are the key properties of 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide?
2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 338.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107536481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).