N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide

C28H23N5O4 — CID 167780032

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)c4ccc(-n5ncc6ccccc65)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H23N5O4/c34-25-12-11-24(27(36)31-25)32-16-20-6-5-17(13-22(20)28(32)37)14-29-26(35)18-7-9-21(10-8-18)33-23-4-2-1-3-19(23)15-30-33/h1-10,13,15,24H,11-12,14,16H2,(H,29,35)(H,31,34,36)
InChIKeyLGUHUYSRYHYGGY-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.72
Rot. Bonds5

About N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide

N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide (PubChem CID 167780032) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide
PubChem CID167780032
Molecular FormulaC28H23N5O4
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)c4ccc(-n5ncc6ccccc65)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H23N5O4/c34-25-12-11-24(27(36)31-25)32-16-20-6-5-17(13-22(20)28(32)37)14-29-26(35)18-7-9-21(10-8-18)33-23-4-2-1-3-19(23)15-30-33/h1-10,13,15,24H,11-12,14,16H2,(H,29,35)(H,31,34,36)
InChIKeyLGUHUYSRYHYGGY-UHFFFAOYSA-N
XLogP2.72
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide 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

N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-naphthalen-1-ylacetyl)amino]methyl]phenyl]methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167275669
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]quinoxaline-2-carboxamide
CID 168880034
4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide
CID 167754996
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 166425784
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-methylsulfonylbenzamide
CID 44538015
N-[(3-aminophenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 166425852
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzo[e][1]benzofuran-2-carboxamide
CID 168880101
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 24789038
1,3-benzothiazol-2-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 176717831
N-(2,3-dihydro-1H-indol-6-ylmethyl)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]triazole-4-carboxamide
CID 167990087
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-isoquinolin-1-ylacetyl)amino]methyl]-2-phosphanylphenyl]methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167276257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide (CID 167780032) is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide is O=C1CCC(N2Cc3ccc(CNC(=O)c4ccc(-n5ncc6ccccc65)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide?
The InChIKey is LGUHUYSRYHYGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c34-25-12-11-24(27(36)31-25)32-16-20-6-5-17(13-22(20)28(32)37)14-29-26(35)18-7-9-21(10-8-18)33-23-4-2-1-3-19(23)15-30-33/h1-10,13,15,24H,11-12,14,16H2,(H,29,35)(H,31,34,36).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide has a molecular weight of 493.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide is sourced from PubChem (CID 167780032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).