[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate

C26H20F2N4O5 — CID 166074357

IUPAC[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C26H20F2N4O5/c1-31(14-6-7-21(29-12-14)16-4-2-3-5-19(16)27)26(36)37-15-10-17-18(20(28)11-15)13-32(25(17)35)22-8-9-23(33)30-24(22)34/h2-7,10-12,22H,8-9,13H2,1H3,(H,30,33,34)
InChIKeyGXZOPCVHIVLBAV-UHFFFAOYSA-N
MW506.47 g/mol
LogP3.42
Rot. Bonds4

About [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate

[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate (PubChem CID 166074357) has the molecular formula C26H20F2N4O5 and a molecular weight of 506.47 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate
PubChem CID166074357
Molecular FormulaC26H20F2N4O5
Molecular Weight506.47 g/mol
Exact Mass506.14
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C26H20F2N4O5/c1-31(14-6-7-21(29-12-14)16-4-2-3-5-19(16)27)26(36)37-15-10-17-18(20(28)11-15)13-32(25(17)35)22-8-9-23(33)30-24(22)34/h2-7,10-12,22H,8-9,13H2,1H3,(H,30,33,34)
InChIKeyGXZOPCVHIVLBAV-UHFFFAOYSA-N
XLogP3.42
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
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] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate (CID 166074357) is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate is CN(C(=O)Oc1cc(F)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(-c2ccccc2F)nc1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate?
The InChIKey is GXZOPCVHIVLBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O5/c1-31(14-6-7-21(29-12-14)16-4-2-3-5-19(16)27)26(36)37-15-10-17-18(20(28)11-15)13-32(25(17)35)22-8-9-23(33)30-24(22)34/h2-7,10-12,22H,8-9,13H2,1H3,(H,30,33,34).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate?
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate has a molecular weight of 506.47 g/mol, XLogP of 3.42, 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)-7-fluoro-3-oxo-1H-isoindol-5-yl] N-[6-(2-fluorophenyl)-3-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 166074357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).