2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C13H11F3N2O — CID 167186692

IUPAC2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC=C/C(=C\C)n1cc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C13H11F3N2O/c1-3-9(4-2)18-8-11-10(13(14,15)16)6-5-7-17(11)12(18)19/h3-8H,1H2,2H3/b9-4+
InChIKeyAPGKJHLBSWZOEJ-RUDMXATFSA-N
MW268.24 g/mol
LogP3.17
Rot. Bonds2

About 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 167186692) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID167186692
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC=C/C(=C\C)n1cc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C13H11F3N2O/c1-3-9(4-2)18-8-11-10(13(14,15)16)6-5-7-17(11)12(18)19/h3-8H,1H2,2H3/b9-4+
InChIKeyAPGKJHLBSWZOEJ-RUDMXATFSA-N
XLogP3.17
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 167186692) is 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C=C/C(=C\C)n1cc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is APGKJHLBSWZOEJ-RUDMXATFSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-3-9(4-2)18-8-11-10(13(14,15)16)6-5-7-17(11)12(18)19/h3-8H,1H2,2H3/b9-4+.
What are the key properties of 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 268.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-penta-1,3-dien-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 167186692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).