4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

C28H23N5O4 — CID 55954551

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C28H23N5O4/c34-25(18-32-14-4-13-30-32)31-22-6-3-5-20(15-22)16-29-26(35)21-11-9-19(10-12-21)17-33-27(36)23-7-1-2-8-24(23)28(33)37/h1-15H,16-18H2,(H,29,35)(H,31,34)
InChIKeyUETLXZHZVAXYNQ-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.25
Rot. Bonds8

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (PubChem CID 55954551) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
PubChem CID55954551
Molecular FormulaC28H23N5O4
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1
InChIInChI=1S/C28H23N5O4/c34-25(18-32-14-4-13-30-32)31-22-6-3-5-20(15-22)16-29-26(35)21-11-9-19(10-12-21)17-33-27(36)23-7-1-2-8-24(23)28(33)37/h1-15H,16-18H2,(H,29,35)(H,31,34)
InChIKeyUETLXZHZVAXYNQ-UHFFFAOYSA-N
XLogP3.25
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide 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

2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55978865
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55797224
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
CID 55838537

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (CID 55954551) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is UETLXZHZVAXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c34-25(18-32-14-4-13-30-32)31-22-6-3-5-20(15-22)16-29-26(35)21-11-9-19(10-12-21)17-33-27(36)23-7-1-2-8-24(23)28(33)37/h1-15H,16-18H2,(H,29,35)(H,31,34).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 493.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55954551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).