(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C23H16ClFN4O4 — CID 91498741

About (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91498741) has the molecular formula C23H16ClFN4O4 and a molecular weight of 466.86 g/mol. Its IUPAC name is (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 91498741
• Molecular Formula: C23H16ClFN4O4
• Molecular Weight: 466.86 g/mol
• Exact Mass: 466.08
• IUPAC Name: (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cc(=O)[nH]cc3Cl)cc2)N1
• InChI: InChI=1S/C23H16ClFN4O4/c24-18-9-26-19(30)8-16(18)12-1-4-14(5-2-12)23(21(32)27-22(33)28-23)11-29-10-13-3-6-15(25)7-17(13)20(29)31/h1-10,31H,11H2,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1
• InChIKey: MLXWPZUSSCXVME-QHCPKHFHSA-N
• XLogP: 3.23
• TPSA: 116.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.86
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 91498741) is (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cc(=O)[nH]cc3Cl)cc2)N1.

What is the InChIKey of (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is MLXWPZUSSCXVME-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H16ClFN4O4/c24-18-9-26-19(30)8-16(18)12-1-4-14(5-2-12)23(21(32)27-22(33)28-23)11-29-10-13-3-6-15(25)7-17(13)20(29)31/h1-10,31H,11H2,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1.

What are the key properties of (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 466.86 g/mol, XLogP of 3.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91498741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).