[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate

C26H21FN4O5 — CID 166074280

IUPAC[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3c(F)cc(COC(=O)Nc4cc(-c5ccccc5)ccn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H21FN4O5/c27-20-11-15(10-18-19(20)13-31(25(18)34)21-6-7-23(32)30-24(21)33)14-36-26(35)29-22-12-17(8-9-28-22)16-4-2-1-3-5-16/h1-5,8-12,21H,6-7,13-14H2,(H,28,29,35)(H,30,32,33)
InChIKeyIXPSPRDJBOEBSY-UHFFFAOYSA-N
MW488.48 g/mol
LogP3.40
Rot. Bonds5

About [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate

[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate (PubChem CID 166074280) has the molecular formula C26H21FN4O5 and a molecular weight of 488.48 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate
PubChem CID166074280
Molecular FormulaC26H21FN4O5
Molecular Weight488.48 g/mol
Exact Mass488.15
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3c(F)cc(COC(=O)Nc4cc(-c5ccccc5)ccn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H21FN4O5/c27-20-11-15(10-18-19(20)13-31(25(18)34)21-6-7-23(32)30-24(21)33)14-36-26(35)29-22-12-17(8-9-28-22)16-4-2-1-3-5-16/h1-5,8-12,21H,6-7,13-14H2,(H,28,29,35)(H,30,32,33)
InChIKeyIXPSPRDJBOEBSY-UHFFFAOYSA-N
XLogP3.40
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate (CID 166074280) is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate is O=C1CCC(N2Cc3c(F)cc(COC(=O)Nc4cc(-c5ccccc5)ccn4)cc3C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate?
The InChIKey is IXPSPRDJBOEBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O5/c27-20-11-15(10-18-19(20)13-31(25(18)34)21-6-7-23(32)30-24(21)33)14-36-26(35)29-22-12-17(8-9-28-22)16-4-2-1-3-5-16/h1-5,8-12,21H,6-7,13-14H2,(H,28,29,35)(H,30,32,33).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate?
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate has a molecular weight of 488.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(4-phenyl-2-pyridinyl)carbamate is sourced from PubChem (CID 166074280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).