5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

C24H19FN4O5 — CID 70328628

IUPAC5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(OCc4cc[nH]c(=O)c4)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H19FN4O5/c25-17-3-1-16(2-4-17)24(22(32)27-23(33)28-24)13-29-11-15-10-18(5-6-19(15)21(29)31)34-12-14-7-8-26-20(30)9-14/h1-10H,11-13H2,(H,26,30)(H2,27,28,32,33)
InChIKeyQPRIKXHJPFTBHY-UHFFFAOYSA-N
MW462.44 g/mol
LogP1.78
Rot. Bonds6

About 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 70328628) has the molecular formula C24H19FN4O5 and a molecular weight of 462.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID70328628
Molecular FormulaC24H19FN4O5
Molecular Weight462.44 g/mol
Exact Mass462.13
IUPAC Name5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(OCc4cc[nH]c(=O)c4)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H19FN4O5/c25-17-3-1-16(2-4-17)24(22(32)27-23(33)28-24)13-29-11-15-10-18(5-6-19(15)21(29)31)34-12-14-7-8-26-20(30)9-14/h1-10H,11-13H2,(H,26,30)(H2,27,28,32,33)
InChIKeyQPRIKXHJPFTBHY-UHFFFAOYSA-N
XLogP1.78
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 70328628) is 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3cc(OCc4cc[nH]c(=O)c4)ccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is QPRIKXHJPFTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5/c25-17-3-1-16(2-4-17)24(22(32)27-23(33)28-24)13-29-11-15-10-18(5-6-19(15)21(29)31)34-12-14-7-8-26-20(30)9-14/h1-10H,11-13H2,(H,26,30)(H2,27,28,32,33).
What are the key properties of 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 462.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70328628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).