1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one

C29H21FN2O3 — CID 58472569

IUPAC1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)Cc4cnccn4)c3)cc12
InChIInChI=1S/C29H21FN2O3/c1-2-25(33)28-24-15-20(8-11-27(24)35-29(28)18-6-9-22(30)10-7-18)19-4-3-5-21(14-19)26(34)16-23-17-31-12-13-32-23/h3-15,17H,2,16H2,1H3
InChIKeyUINRCMLVYVLUCQ-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.71
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one

1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one (PubChem CID 58472569) has the molecular formula C29H21FN2O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one
PubChem CID58472569
Molecular FormulaC29H21FN2O3
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one
SMILESCCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)Cc4cnccn4)c3)cc12
InChIInChI=1S/C29H21FN2O3/c1-2-25(33)28-24-15-20(8-11-27(24)35-29(28)18-6-9-22(30)10-7-18)19-4-3-5-21(14-19)26(34)16-23-17-31-12-13-32-23/h3-15,17H,2,16H2,1H3
InChIKeyUINRCMLVYVLUCQ-UHFFFAOYSA-N
XLogP6.71
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]-N-(3-hydroxy-1-phenylpropyl)benzamide
CID 58472927
2-(4-fluorophenyl)-N-methyl-5-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 59275277
2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472649
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1-phenylcyclopropyl)acetyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472686
ethane;5-[3-(ethylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956901
1-[2-fluoro-5-[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]phenyl]-3,3-dimethylbutan-1-one
CID 58472571
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
3-[2-(4-fluorophenyl)-6-nitro-3-propanoyl-1-benzofuran-5-yl]benzoic acid
CID 58472548
1-[2-(4-fluorophenyl)-5-[2-methyl-5-[2-[1-(5-methyl-1,3-oxazol-4-yl)cyclopropyl]acetyl]phenyl]-1-benzofuran-3-yl]propan-1-one
CID 58472597
1-[2-(4-fluorophenyl)-5-[2-methyl-5-[2-(1-phenylcyclopropyl)acetyl]phenyl]-1-benzofuran-3-yl]propan-1-one
CID 58472524
1-[2-(4-fluorophenyl)-5-[2-methyl-5-[2-[1-(1-methylpyrazol-4-yl)cyclopropyl]acetyl]phenyl]-1-benzofuran-3-yl]propan-1-one
CID 58472814
2-(4-fluorophenyl)-N-methyl-5-[3-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one (CID 58472569) is 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one is CCC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)Cc4cnccn4)c3)cc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one?
The InChIKey is UINRCMLVYVLUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2O3/c1-2-25(33)28-24-15-20(8-11-27(24)35-29(28)18-6-9-22(30)10-7-18)19-4-3-5-21(14-19)26(34)16-23-17-31-12-13-32-23/h3-15,17H,2,16H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one?
1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one has a molecular weight of 464.50 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-[3-(2-pyrazin-2-ylacetyl)phenyl]-1-benzofuran-3-yl]propan-1-one is sourced from PubChem (CID 58472569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).