[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H22N2O7 — CID 11561208

IUPAC[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3cnn(C)c3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H22N2O7/c1-25-11-13(10-24-25)21-18(14-6-7-15(28-2)20(27)22(14)32-21)19(26)12-8-16(29-3)23(31-5)17(9-12)30-4/h6-11,27H,1-5H3
InChIKeyIARVWTIWWVZVBS-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.80
Rot. Bonds7

About [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11561208) has the molecular formula C23H22N2O7 and a molecular weight of 438.44 g/mol. Its IUPAC name is [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11561208
Molecular FormulaC23H22N2O7
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Name[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3cnn(C)c3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H22N2O7/c1-25-11-13(10-24-25)21-18(14-6-7-15(28-2)20(27)22(14)32-21)19(26)12-8-16(29-3)23(31-5)17(9-12)30-4/h6-11,27H,1-5H3
InChIKeyIARVWTIWWVZVBS-UHFFFAOYSA-N
XLogP3.80
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone 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 [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 11561208) is [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-c3cnn(C)c3)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IARVWTIWWVZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7/c1-25-11-13(10-24-25)21-18(14-6-7-15(28-2)20(27)22(14)32-21)19(26)12-8-16(29-3)23(31-5)17(9-12)30-4/h6-11,27H,1-5H3.
What are the key properties of [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 438.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-hydroxy-6-methoxy-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).