1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione

C17H14N2O2 — CID 134956703

IUPAC1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCc1nc2cccc(C)n2c1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-11-7-6-10-14-18-12(2)15(19(11)14)17(21)16(20)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyHVHBLKCEGCOCPT-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.02
Rot. Bonds3

About 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione

1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (PubChem CID 134956703) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
PubChem CID134956703
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCc1nc2cccc(C)n2c1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-11-7-6-10-14-18-12(2)15(19(11)14)17(21)16(20)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyHVHBLKCEGCOCPT-UHFFFAOYSA-N
XLogP3.02
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-4-phenylbenzamide
CID 18566181
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
1-(5-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018891
2,5-dimethylimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 165499956
9-methylpyrido[2,1-b]quinazolin-11-one
CID 11321767
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132528111
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
2-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)ethanimidamide
CID 83881248
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (CID 134956703) is 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is Cc1nc2cccc(C)n2c1C(=O)C(=O)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The InChIKey is HVHBLKCEGCOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-6-10-14-18-12(2)15(19(11)14)17(21)16(20)13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione has a molecular weight of 278.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 134956703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).