3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile

C15H12N4O — CID 84760106

IUPAC3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCOc1cc(-c2nc(C#N)c3ccccn23)ccc1N
InChIInChI=1S/C15H12N4O/c1-20-14-8-10(5-6-11(14)17)15-18-12(9-16)13-4-2-3-7-19(13)15/h2-8H,17H2,1H3
InChIKeyRWBLGBOGGIMKMD-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.46
Rot. Bonds2

About 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile

3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84760106) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84760106
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCOc1cc(-c2nc(C#N)c3ccccn23)ccc1N
InChIInChI=1S/C15H12N4O/c1-20-14-8-10(5-6-11(14)17)15-18-12(9-16)13-4-2-3-7-19(13)15/h2-8H,17H2,1H3
InChIKeyRWBLGBOGGIMKMD-UHFFFAOYSA-N
XLogP2.46
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]ethynyl-trimethylsilane
CID 53469313
3-(3-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 116836642
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 139173944
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
2-(1-cyanoimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoic acid
CID 116984741
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
1-ethynyl-3-phenylimidazo[1,5-a]pyridine
CID 53468720
1-chloro-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117250855
4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
CID 104784473
5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde
CID 87886144

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 84760106) is 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile is COc1cc(-c2nc(C#N)c3ccccn23)ccc1N.
What is the InChIKey of 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is RWBLGBOGGIMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-14-8-10(5-6-11(14)17)15-18-12(9-16)13-4-2-3-7-19(13)15/h2-8H,17H2,1H3.
What are the key properties of 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile?
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84760106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).