[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C20H21N3O3 — CID 40520204

About [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40520204) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 40520204
• Molecular Formula: C20H21N3O3
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.16
• IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
• SMILES: C=CCn1c(C)cc(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C
• InChI: InChI=1S/C20H21N3O3/c1-5-7-23-14(3)10-16(15(23)4)18(24)12-26-20(25)17-11-22-8-6-13(2)9-19(22)21-17/h5-6,8-11H,1,7,12H2,2-4H3
• InChIKey: ZUHSZFBNYQDGJI-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40520204) is [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is C=CCn1c(C)cc(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c1C.

What is the InChIKey of [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is ZUHSZFBNYQDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-5-7-23-14(3)10-16(15(23)4)18(24)12-26-20(25)17-11-22-8-6-13(2)9-19(22)21-17/h5-6,8-11H,1,7,12H2,2-4H3.

What are the key properties of [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?

[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40520204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).