3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one

Details

• Internal ID: 6ca31979-9d46-472b-a220-1b4cd885732d
• Taxonomy: Organoheterocyclic compounds > Imidazopyridines > Imidazopyridinones
• IUPAC Name: 3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one
• SMILES (Canonical): CC1=CN=C2N1CCCC2=O
• SMILES (Isomeric): CC1=CN=C2N1CCCC2=O
• InChI: InChI=1S/C8H10N2O/c1-6-5-9-8-7(11)3-2-4-10(6)8/h5H,2-4H2,1H3
• InChI Key: QEGVGRBNBOFZRY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₀N₂O
• Molecular Weight: 150.18 g/mol
• Exact Mass: 150.079312947 g/mol
• Topological Polar Surface Area (TPSA): 34.90 Ų
• XlogP: 0.50

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5697	Q9GZT9	Egl nine homolog 1	96.74%	93.40%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.45%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.57%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	89.95%	94.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.99%	93.99%
CHEMBL2581	P07339	Cathepsin D	87.85%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.75%	86.33%
CHEMBL5103	Q969S8	Histone deacetylase 10	86.78%	90.08%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.19%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.17%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.10%	99.23%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.70%	93.65%
CHEMBL2094121	P14867	GABA-A receptor; alpha-1/beta-3/gamma-2	80.98%	95.50%

Plants that contains it

• Salvia miltiorrhiza

Cross-Links

• PubChem: 11804937
• LOTUS: LTS0098002
• wikiData: Q27135453