4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline

C13H15FN4O — CID 107259216

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline
SMILESCOc1cc(N2CCn3ccnc3C2)c(F)cc1N
InChIInChI=1S/C13H15FN4O/c1-19-12-7-11(9(14)6-10(12)15)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyVWSDNAIHXNIFEN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.63
Rot. Bonds2

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

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline (PubChem CID 107259216) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline
PubChem CID107259216
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline
SMILESCOc1cc(N2CCn3ccnc3C2)c(F)cc1N
InChIInChI=1S/C13H15FN4O/c1-19-12-7-11(9(14)6-10(12)15)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyVWSDNAIHXNIFEN-UHFFFAOYSA-N
XLogP1.63
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
CID 103590364
5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
CID 66111141
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-fluorophenyl]ethanamine
CID 63014492
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63014980
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
4-(3,4-dimethylpiperazin-1-yl)-5-fluoro-2-methoxyaniline
CID 107259252
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
CID 63014254
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
1-[4-(4-amino-2-fluoro-5-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 107259042
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline (CID 107259216) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline is COc1cc(N2CCn3ccnc3C2)c(F)cc1N.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline?
The InChIKey is VWSDNAIHXNIFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-12-7-11(9(14)6-10(12)15)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3.
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline has a molecular weight of 262.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 107259216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).