ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate

C23H19N3O4S — CID 71597089

IUPACethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C23H19N3O4S/c1-2-30-23(29)17-13-19(21(27)20-7-5-11-31-20)26-10-8-15(12-18(17)26)22(28)25-14-16-6-3-4-9-24-16/h3-13H,2,14H2,1H3,(H,25,28)
InChIKeyRYBSLTYKTQHZOO-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.73
Rot. Bonds7

About ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate

ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate (PubChem CID 71597089) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
PubChem CID71597089
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Nameethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C23H19N3O4S/c1-2-30-23(29)17-13-19(21(27)20-7-5-11-31-20)26-10-8-15(12-18(17)26)22(28)25-14-16-6-3-4-9-24-16/h3-13H,2,14H2,1H3,(H,25,28)
InChIKeyRYBSLTYKTQHZOO-UHFFFAOYSA-N
XLogP3.73
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-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 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate (CID 71597089) is ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(=O)NCc3ccccn3)cc12.
What is the InChIKey of ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The InChIKey is RYBSLTYKTQHZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-2-30-23(29)17-13-19(21(27)20-7-5-11-31-20)26-10-8-15(12-18(17)26)22(28)25-14-16-6-3-4-9-24-16/h3-13H,2,14H2,1H3,(H,25,28).
What are the key properties of ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(pyridin-2-ylmethylcarbamoyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxylate is sourced from PubChem (CID 71597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).