[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate

C26H21FN4O5 — CID 170781353

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccn2)cc1F
InChIInChI=1S/C26H21FN4O5/c1-30(21-8-6-15(12-19(21)27)20-4-2-3-11-28-20)26(35)36-17-7-5-16-14-31(25(34)18(16)13-17)22-9-10-23(32)29-24(22)33/h2-8,11-13,22H,9-10,14H2,1H3,(H,29,32,33)
InChIKeyLIXYLTBKYBXJAU-UHFFFAOYSA-N
MW488.48 g/mol
LogP3.28
Rot. Bonds4

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate (PubChem CID 170781353) has the molecular formula C26H21FN4O5 and a molecular weight of 488.48 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
PubChem CID170781353
Molecular FormulaC26H21FN4O5
Molecular Weight488.48 g/mol
Exact Mass488.15
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccn2)cc1F
InChIInChI=1S/C26H21FN4O5/c1-30(21-8-6-15(12-19(21)27)20-4-2-3-11-28-20)26(35)36-17-7-5-16-14-31(25(34)18(16)13-17)22-9-10-23(32)29-24(22)33/h2-8,11-13,22H,9-10,14H2,1H3,(H,29,32,33)
InChIKeyLIXYLTBKYBXJAU-UHFFFAOYSA-N
XLogP3.28
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate
CID 169322812
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(3-fluoro-4-methylphenyl)-N-methylcarbamate
CID 170781368
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate
CID 169322774
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070342
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070333
3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171545904
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-N-methylcarbamate
CID 172555134
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine
CID 176977763
3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170905195
3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427130

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate (CID 170781353) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate is CN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccn2)cc1F.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate?
The InChIKey is LIXYLTBKYBXJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O5/c1-30(21-8-6-15(12-19(21)27)20-4-2-3-11-28-20)26(35)36-17-7-5-16-14-31(25(34)18(16)13-17)22-9-10-23(32)29-24(22)33/h2-8,11-13,22H,9-10,14H2,1H3,(H,29,32,33).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate has a molecular weight of 488.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 170781353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).