2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

C24H23N3O5 — CID 59054507

IUPAC2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)cc2c1
InChIInChI=1S/C24H23N3O5/c1-14-20(12-23(28)29)15(2)27(26-14)13-16-4-6-18(7-5-16)25-24(30)22-11-17-10-19(31-3)8-9-21(17)32-22/h4-11H,12-13H2,1-3H3,(H,25,30)(H,28,29)
InChIKeyHGIYFHMGIUIZBV-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.18
Rot. Bonds7

About 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 59054507) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID59054507
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)cc2c1
InChIInChI=1S/C24H23N3O5/c1-14-20(12-23(28)29)15(2)27(26-14)13-16-4-6-18(7-5-16)25-24(30)22-11-17-10-19(31-3)8-9-21(17)32-22/h4-11H,12-13H2,1-3H3,(H,25,30)(H,28,29)
InChIKeyHGIYFHMGIUIZBV-UHFFFAOYSA-N
XLogP4.18
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid 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-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (CID 59054507) is 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is COc1ccc2oc(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)cc2c1.
What is the InChIKey of 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is HGIYFHMGIUIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-14-20(12-23(28)29)15(2)27(26-14)13-16-4-6-18(7-5-16)25-24(30)22-11-17-10-19(31-3)8-9-21(17)32-22/h4-11H,12-13H2,1-3H3,(H,25,30)(H,28,29).
What are the key properties of 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 433.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(5-methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 59054507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).