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

C26H24FN5O5 — CID 176717897

IUPAC[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)NC4CC(n5ncc6ccccc65)C4)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C26H24FN5O5/c27-23-16(6-5-15-12-31(25(35)22(15)23)20-7-8-21(33)30-24(20)34)13-37-26(36)29-17-9-18(10-17)32-19-4-2-1-3-14(19)11-28-32/h1-6,11,17-18,20H,7-10,12-13H2,(H,29,36)(H,30,33,34)
InChIKeyDRQVRUCPCWVAJH-UHFFFAOYSA-N
MW505.51 g/mol
LogP2.57
Rot. Bonds5

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

[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate (PubChem CID 176717897) has the molecular formula C26H24FN5O5 and a molecular weight of 505.51 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate
PubChem CID176717897
Molecular FormulaC26H24FN5O5
Molecular Weight505.51 g/mol
Exact Mass505.18
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)NC4CC(n5ncc6ccccc65)C4)c(F)c3C2=O)C(=O)N1
InChIInChI=1S/C26H24FN5O5/c27-23-16(6-5-15-12-31(25(35)22(15)23)20-7-8-21(33)30-24(20)34)13-37-26(36)29-17-9-18(10-17)32-19-4-2-1-3-14(19)11-28-32/h1-6,11,17-18,20H,7-10,12-13H2,(H,29,36)(H,30,33,34)
InChIKeyDRQVRUCPCWVAJH-UHFFFAOYSA-N
XLogP2.57
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-fluoro-2-methyl-3-pyridinyl)cyclobutyl]carbamate
CID 176718056
[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
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
[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)-4-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(3-chloro-4-methylphenyl)carbamate
CID 166074305
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide
CID 167780032
phenyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]piperidin-4-yl]carbamate
CID 167733899
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298

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-indazol-1-ylcyclobutyl)carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate (CID 176717897) is [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate is O=C1CCC(N2Cc3ccc(COC(=O)NC4CC(n5ncc6ccccc65)C4)c(F)c3C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate?
The InChIKey is DRQVRUCPCWVAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O5/c27-23-16(6-5-15-12-31(25(35)22(15)23)20-7-8-21(33)30-24(20)34)13-37-26(36)29-17-9-18(10-17)32-19-4-2-1-3-14(19)11-28-32/h1-6,11,17-18,20H,7-10,12-13H2,(H,29,36)(H,30,33,34).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate?
[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate has a molecular weight of 505.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-indazol-1-ylcyclobutyl)carbamate is sourced from PubChem (CID 176717897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).