6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one

C20H24N4O — CID 118581176

IUPAC6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCCc1cc2ccccn2c1-c1ccc(=O)n(CCN2CCCC2)n1
InChIInChI=1S/C20H24N4O/c1-2-16-15-17-7-3-4-12-23(17)20(16)18-8-9-19(25)24(21-18)14-13-22-10-5-6-11-22/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3
InChIKeyIXMIQNNQNRNWCV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.82
Rot. Bonds5

About 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one

6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 118581176) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID118581176
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCCc1cc2ccccn2c1-c1ccc(=O)n(CCN2CCCC2)n1
InChIInChI=1S/C20H24N4O/c1-2-16-15-17-7-3-4-12-23(17)20(16)18-8-9-19(25)24(21-18)14-13-22-10-5-6-11-22/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3
InChIKeyIXMIQNNQNRNWCV-UHFFFAOYSA-N
XLogP2.82
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 118581176) is 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one is CCc1cc2ccccn2c1-c1ccc(=O)n(CCN2CCCC2)n1.
What is the InChIKey of 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is IXMIQNNQNRNWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-16-15-17-7-3-4-12-23(17)20(16)18-8-9-19(25)24(21-18)14-13-22-10-5-6-11-22/h3-4,7-9,12,15H,2,5-6,10-11,13-14H2,1H3.
What are the key properties of 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one?
6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 336.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylindolizin-3-yl)-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 118581176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).