1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione

C24H25N3O3 — CID 166916517

IUPAC1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione
SMILESCc1cc2c(cnn2C2CCCCO2)cc1C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25N3O3/c1-16-11-21-18(14-25-27(21)23-9-5-6-10-30-23)12-19(16)20-13-22(28)26(24(20)29)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,20,23H,5-6,9-10,13,15H2,1H3
InChIKeyFFTBYZRJUCRRPL-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.09
Rot. Bonds4

About 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione

1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione (PubChem CID 166916517) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione
PubChem CID166916517
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione
SMILESCc1cc2c(cnn2C2CCCCO2)cc1C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25N3O3/c1-16-11-21-18(14-25-27(21)23-9-5-6-10-30-23)12-19(16)20-13-22(28)26(24(20)29)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,20,23H,5-6,9-10,13,15H2,1H3
InChIKeyFFTBYZRJUCRRPL-UHFFFAOYSA-N
XLogP4.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione (CID 166916517) is 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione is Cc1cc2c(cnn2C2CCCCO2)cc1C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione?
The InChIKey is FFTBYZRJUCRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-11-21-18(14-25-27(21)23-9-5-6-10-30-23)12-19(16)20-13-22(28)26(24(20)29)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,14,20,23H,5-6,9-10,13,15H2,1H3.
What are the key properties of 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione?
1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione has a molecular weight of 403.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[6-methyl-1-(oxan-2-yl)indazol-5-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 166916517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).