3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione

C24H20FN3O4 — CID 176909091

IUPAC3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione
SMILESCOc1ccc(Cn2cc(-c3ccc4c(C5CCC(=O)NC5=O)coc4c3)c(F)n2)cc1
InChIInChI=1S/C24H20FN3O4/c1-31-16-5-2-14(3-6-16)11-28-12-19(23(25)27-28)15-4-7-17-20(13-32-21(17)10-15)18-8-9-22(29)26-24(18)30/h2-7,10,12-13,18H,8-9,11H2,1H3,(H,26,29,30)
InChIKeyZHZXBXKVUBOQNM-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.01
Rot. Bonds5

About 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione

3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione (PubChem CID 176909091) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione
PubChem CID176909091
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione
SMILESCOc1ccc(Cn2cc(-c3ccc4c(C5CCC(=O)NC5=O)coc4c3)c(F)n2)cc1
InChIInChI=1S/C24H20FN3O4/c1-31-16-5-2-14(3-6-16)11-28-12-19(23(25)27-28)15-4-7-17-20(13-32-21(17)10-15)18-8-9-22(29)26-24(18)30/h2-7,10,12-13,18H,8-9,11H2,1H3,(H,26,29,30)
InChIKeyZHZXBXKVUBOQNM-UHFFFAOYSA-N
XLogP4.01
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione 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 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione (CID 176909091) is 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione is COc1ccc(Cn2cc(-c3ccc4c(C5CCC(=O)NC5=O)coc4c3)c(F)n2)cc1.
What is the InChIKey of 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione?
The InChIKey is ZHZXBXKVUBOQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-31-16-5-2-14(3-6-16)11-28-12-19(23(25)27-28)15-4-7-17-20(13-32-21(17)10-15)18-8-9-22(29)26-24(18)30/h2-7,10,12-13,18H,8-9,11H2,1H3,(H,26,29,30).
What are the key properties of 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione?
3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione has a molecular weight of 433.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 176909091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).