5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C17H13FN4O3 — CID 90728782

IUPAC5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2cccnc2)N1
InChIInChI=1S/C17H13FN4O3/c18-12-4-3-10-8-22(14(23)13(10)6-12)9-17(11-2-1-5-19-7-11)15(24)20-16(25)21-17/h1-8,23H,9H2,(H2,20,21,24,25)
InChIKeyDLVRVQSKEXDHBA-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.62
Rot. Bonds3

About 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 90728782) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID90728782
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2cccnc2)N1
InChIInChI=1S/C17H13FN4O3/c18-12-4-3-10-8-22(14(23)13(10)6-12)9-17(11-2-1-5-19-7-11)15(24)20-16(25)21-17/h1-8,23H,9H2,(H2,20,21,24,25)
InChIKeyDLVRVQSKEXDHBA-UHFFFAOYSA-N
XLogP1.62
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Amino-1-hydroxyisoindol-2-yl)-3-fluoropiperidine-2,6-dione
CID 53667444
3-Fluoro-3-(1-hydroxyisoindol-2-yl)piperidine-2,6-dione
CID 53935595
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
3-[7-fluoro-3-hydroxy-2-[(4-pyrrol-1-ylphenyl)methyl]isoindol-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 90700125
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 90715981
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 90730464
3-[7-fluoro-2-[(4-fluorophenyl)methyl]-3-hydroxyisoindol-1-yl]-N-pyrazin-2-ylpropanamide
CID 90740439
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 90728782) is 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3ccc(F)cc3c2O)(c2cccnc2)N1.
What is the InChIKey of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is DLVRVQSKEXDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-4-3-10-8-22(14(23)13(10)6-12)9-17(11-2-1-5-19-7-11)15(24)20-16(25)21-17/h1-8,23H,9H2,(H2,20,21,24,25).
What are the key properties of 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 340.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 90728782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).