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

C25H24F2N4O5 — CID 176718056

IUPAC[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate
SMILESCc1nccc(F)c1C1CC(NC(=O)OCc2ccc3c(c2F)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C25H24F2N4O5/c1-12-20(17(26)6-7-28-12)15-8-16(9-15)29-25(35)36-11-14-3-2-13-10-31(24(34)21(13)22(14)27)18-4-5-19(32)30-23(18)33/h2-3,6-7,15-16,18H,4-5,8-11H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyIGHWTAIDDAOSMQ-UHFFFAOYSA-N
MW498.49 g/mol
LogP2.60
Rot. Bonds5

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

[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate (PubChem CID 176718056) has the molecular formula C25H24F2N4O5 and a molecular weight of 498.49 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate
PubChem CID176718056
Molecular FormulaC25H24F2N4O5
Molecular Weight498.49 g/mol
Exact Mass498.17
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate
SMILESCc1nccc(F)c1C1CC(NC(=O)OCc2ccc3c(c2F)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C25H24F2N4O5/c1-12-20(17(26)6-7-28-12)15-8-16(9-15)29-25(35)36-11-14-3-2-13-10-31(24(34)21(13)22(14)27)18-4-5-19(32)30-23(18)33/h2-3,6-7,15-16,18H,4-5,8-11H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyIGHWTAIDDAOSMQ-UHFFFAOYSA-N
XLogP2.60
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
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)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-[3-(trifluoromethyl)pyrazin-2-yl]cyclobutyl]carbamate
CID 176717840
[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-([1,3]thiazolo[5,4-c]pyridin-7-yl)cyclobutyl]carbamate
CID 176717594
[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate
CID 176717897
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
[2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(3-chloro-4-methylphenyl)carbamate
CID 166074305
[3-[3-methyl-2-oxo-5-(trifluoromethyl)pyrazolidin-2-ium-1-yl]cyclobutyl] N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 176718055
(3-methyl-1-oxo-2H-benzimidazol-1-ium-4-yl) N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl]carbamoperoxoate
CID 176717704
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-(difluoromethoxy)-2-fluoro-4-methylphenyl]carbamate
CID 164584024
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651
3-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732410
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-methylphenyl)carbamate
CID 164584202
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(3,5-dimethylphenyl)carbamate
CID 164584178

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate (CID 176718056) is [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate is Cc1nccc(F)c1C1CC(NC(=O)OCc2ccc3c(c2F)C(=O)N(C2CCC(=O)NC2=O)C3)C1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate?
The InChIKey is IGHWTAIDDAOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O5/c1-12-20(17(26)6-7-28-12)15-8-16(9-15)29-25(35)36-11-14-3-2-13-10-31(24(34)21(13)22(14)27)18-4-5-19(32)30-23(18)33/h2-3,6-7,15-16,18H,4-5,8-11H2,1H3,(H,29,35)(H,30,32,33).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate?
[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate has a molecular weight of 498.49 g/mol, XLogP of 2.60, 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)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-[3-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate is sourced from PubChem (CID 176718056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).