3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine

C12H17N3O — CID 117253829

IUPAC3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ncc2ccc(OC)cn12
InChIInChI=1S/C12H17N3O/c1-13-7-3-4-12-14-8-10-5-6-11(16-2)9-15(10)12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyCGVGCYQQLWNZIW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.49
Rot. Bonds5

About 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine

3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine (PubChem CID 117253829) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
PubChem CID117253829
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ncc2ccc(OC)cn12
InChIInChI=1S/C12H17N3O/c1-13-7-3-4-12-14-8-10-5-6-11(16-2)9-15(10)12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyCGVGCYQQLWNZIW-UHFFFAOYSA-N
XLogP1.49
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine (CID 117253829) is 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine is CNCCCc1ncc2ccc(OC)cn12.
What is the InChIKey of 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The InChIKey is CGVGCYQQLWNZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-7-3-4-12-14-8-10-5-6-11(16-2)9-15(10)12/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117253829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).