1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one

C13H16N2O — CID 83835905

IUPAC1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cnc(C(C)C)n2c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-14-7-12-5-4-11(6-10(3)16)8-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyDLSMIBVEPPJNOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one

1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one (PubChem CID 83835905) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one
PubChem CID83835905
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cnc(C(C)C)n2c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-14-7-12-5-4-11(6-10(3)16)8-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyDLSMIBVEPPJNOM-UHFFFAOYSA-N
XLogP2.59
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one (CID 83835905) is 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one is CC(=O)Cc1ccc2cnc(C(C)C)n2c1.
What is the InChIKey of 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one?
The InChIKey is DLSMIBVEPPJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)13-14-7-12-5-4-11(6-10(3)16)8-15(12)13/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one?
1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylimidazo[1,5-a]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 83835905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).