(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

IUPAC(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cc(=O)[nH]cc3Cl)cc2)N1
InChIInChI=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
InChIKeyMLXWPZUSSCXVME-QHCPKHFHSA-N
MW466.86 g/mol
LogP3.23
Rot. Bonds4

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 CID91498741
Molecular FormulaC23H16ClFN4O4
Molecular Weight466.86 g/mol
Exact Mass466.08
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
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cc(=O)[nH]cc3Cl)cc2)N1
InChIInChI=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
InChIKeyMLXWPZUSSCXVME-QHCPKHFHSA-N
XLogP3.23
TPSA116.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.86
LogP ≤ 53.23
H-Bond Donors ≤ 54
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 (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).