5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline

C16H18N4O — CID 84760144

IUPAC5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline
SMILESCCOc1ccc(-c2nc(CN)c3ccccn23)cc1N
InChIInChI=1S/C16H18N4O/c1-2-21-15-7-6-11(9-12(15)18)16-19-13(10-17)14-5-3-4-8-20(14)16/h3-9H,2,10,17-18H2,1H3
InChIKeyGIJNRIUWWFUCCL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.44
Rot. Bonds4

About 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline

5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline (PubChem CID 84760144) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline
PubChem CID84760144
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline
SMILESCCOc1ccc(-c2nc(CN)c3ccccn23)cc1N
InChIInChI=1S/C16H18N4O/c1-2-21-15-7-6-11(9-12(15)18)16-19-13(10-17)14-5-3-4-8-20(14)16/h3-9H,2,10,17-18H2,1H3
InChIKeyGIJNRIUWWFUCCL-UHFFFAOYSA-N
XLogP2.44
TPSA78.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28752221
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
CID 82149308
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]acetonitrile
CID 82145002
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-ethoxy-5-(furan-3-yl)aniline
CID 165490107
2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352261
5-[5-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethoxyaniline
CID 84761570
2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967051
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760106
N-methyl-1-[3-(3-methylphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28797046
N-[[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
CID 84760214
1-(3-phenylimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 82021135

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline?
The IUPAC name of 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline (CID 84760144) is 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline.
What is the SMILES notation for 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline?
The canonical SMILES for 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline is CCOc1ccc(-c2nc(CN)c3ccccn23)cc1N.
What is the InChIKey of 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline?
The InChIKey is GIJNRIUWWFUCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-21-15-7-6-11(9-12(15)18)16-19-13(10-17)14-5-3-4-8-20(14)16/h3-9H,2,10,17-18H2,1H3.
What are the key properties of 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline?
5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline has a molecular weight of 282.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline is sourced from PubChem (CID 84760144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).