ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate

C24H33N3O5 — CID 118326393

IUPACethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=CCCC1(C)CCN(c2c(C(O)C(=O)OC)c(C)cc3nc(C(=O)OCC)cn23)CC1
InChIInChI=1S/C24H33N3O5/c1-6-8-9-24(4)10-12-26(13-11-24)21-19(20(28)23(30)31-5)16(3)14-18-25-17(15-27(18)21)22(29)32-7-2/h6,14-15,20,28H,1,7-13H2,2-5H3
InChIKeyINSSLMZSOLAPTA-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.60
Rot. Bonds8

About ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 118326393) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID118326393
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Nameethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESC=CCCC1(C)CCN(c2c(C(O)C(=O)OC)c(C)cc3nc(C(=O)OCC)cn23)CC1
InChIInChI=1S/C24H33N3O5/c1-6-8-9-24(4)10-12-26(13-11-24)21-19(20(28)23(30)31-5)16(3)14-18-25-17(15-27(18)21)22(29)32-7-2/h6,14-15,20,28H,1,7-13H2,2-5H3
InChIKeyINSSLMZSOLAPTA-UHFFFAOYSA-N
XLogP3.60
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate 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 ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 118326393) is ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate is C=CCCC1(C)CCN(c2c(C(O)C(=O)OC)c(C)cc3nc(C(=O)OCC)cn23)CC1.
What is the InChIKey of ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is INSSLMZSOLAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-6-8-9-24(4)10-12-26(13-11-24)21-19(20(28)23(30)31-5)16(3)14-18-25-17(15-27(18)21)22(29)32-7-2/h6,14-15,20,28H,1,7-13H2,2-5H3.
What are the key properties of ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 443.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-but-3-enyl-4-methylpiperidin-1-yl)-6-(1-hydroxy-2-methoxy-2-oxoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 118326393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).