2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide

C23H19FN2O4 — CID 159354025

IUPAC2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4ccc(C)o4)c3F)c2c1
InChIInChI=1S/C23H19FN2O4/c1-13-7-8-20(30-13)16-5-4-6-18(22(16)24)25-23(28)21-17(14(2)27)12-26-10-9-15(29-3)11-19(21)26/h4-12H,1-3H3,(H,25,28)
InChIKeyLHRNQLCCKMNOHP-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.11
Rot. Bonds5

About 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide

2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide (PubChem CID 159354025) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide
PubChem CID159354025
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide
SMILESCOc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4ccc(C)o4)c3F)c2c1
InChIInChI=1S/C23H19FN2O4/c1-13-7-8-20(30-13)16-5-4-6-18(22(16)24)25-23(28)21-17(14(2)27)12-26-10-9-15(29-3)11-19(21)26/h4-12H,1-3H3,(H,25,28)
InChIKeyLHRNQLCCKMNOHP-UHFFFAOYSA-N
XLogP5.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide 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 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The IUPAC name of 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide (CID 159354025) is 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide is COc1ccn2cc(C(C)=O)c(C(=O)Nc3cccc(-c4ccc(C)o4)c3F)c2c1.
What is the InChIKey of 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
The InChIKey is LHRNQLCCKMNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-13-7-8-20(30-13)16-5-4-6-18(22(16)24)25-23(28)21-17(14(2)27)12-26-10-9-15(29-3)11-19(21)26/h4-12H,1-3H3,(H,25,28).
What are the key properties of 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide?
2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-fluoro-3-(5-methylfuran-2-yl)phenyl]-7-methoxyindolizine-1-carboxamide is sourced from PubChem (CID 159354025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).