[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine

C16H17N3O2 — CID 28752221

IUPAC[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
SMILESCOc1cc(OC)cc(-c2nc(CN)c3ccccn23)c1
InChIInChI=1S/C16H17N3O2/c1-20-12-7-11(8-13(9-12)21-2)16-18-14(10-17)15-5-3-4-6-19(15)16/h3-9H,10,17H2,1-2H3
InChIKeyZJJIKTCFAZBXKL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds4

About [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine

[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine (PubChem CID 28752221) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine.

Molecular Properties

Compound Name[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
PubChem CID28752221
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
SMILESCOc1cc(OC)cc(-c2nc(CN)c3ccccn23)c1
InChIInChI=1S/C16H17N3O2/c1-20-12-7-11(8-13(9-12)21-2)16-18-14(10-17)15-5-3-4-6-19(15)16/h3-9H,10,17H2,1-2H3
InChIKeyZJJIKTCFAZBXKL-UHFFFAOYSA-N
XLogP2.48
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine?
The IUPAC name of [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine (CID 28752221) is [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine.
What is the SMILES notation for [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine?
The canonical SMILES for [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine is COc1cc(OC)cc(-c2nc(CN)c3ccccn23)c1.
What is the InChIKey of [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine?
The InChIKey is ZJJIKTCFAZBXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-12-7-11(8-13(9-12)21-2)16-18-14(10-17)15-5-3-4-6-19(15)16/h3-9H,10,17H2,1-2H3.
What are the key properties of [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine?
[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine is sourced from PubChem (CID 28752221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).