5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid

C23H22N6O7 — CID 168882586

IUPAC5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H22N6O7/c1-26-17(11-15(25-26)23(35)36)22(34)28-8-6-27(7-9-28)12-2-3-13-14(10-12)21(33)29(20(13)32)16-4-5-18(30)24-19(16)31/h2-3,10-11,16H,4-9H2,1H3,(H,35,36)(H,24,30,31)
InChIKeyRZCGOEJUEVPRFG-UHFFFAOYSA-N
MW494.46 g/mol
LogP-0.52
Rot. Bonds4

About 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid

5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 168882586) has the molecular formula C23H22N6O7 and a molecular weight of 494.46 g/mol. Its IUPAC name is 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID168882586
Molecular FormulaC23H22N6O7
Molecular Weight494.46 g/mol
Exact Mass494.15
IUPAC Name5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H22N6O7/c1-26-17(11-15(25-26)23(35)36)22(34)28-8-6-27(7-9-28)12-2-3-13-14(10-12)21(33)29(20(13)32)16-4-5-18(30)24-19(16)31/h2-3,10-11,16H,4-9H2,1H3,(H,35,36)(H,24,30,31)
InChIKeyRZCGOEJUEVPRFG-UHFFFAOYSA-N
XLogP-0.52
TPSA162.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid 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-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171406896
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carboxylic acid
CID 134413856
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]isoindole-1,3-dione
CID 170836142
5-(4-benzhydrylpiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171829291
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 175657162
4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 166426937
4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpiperazine-1-carbonyl]benzoic acid
CID 162482554

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid (CID 168882586) is 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1C(=O)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is RZCGOEJUEVPRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O7/c1-26-17(11-15(25-26)23(35)36)22(34)28-8-6-27(7-9-28)12-2-3-13-14(10-12)21(33)29(20(13)32)16-4-5-18(30)24-19(16)31/h2-3,10-11,16H,4-9H2,1H3,(H,35,36)(H,24,30,31).
What are the key properties of 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 494.46 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 168882586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).