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

C23H17FN4O4 — CID 46933693

IUPAC(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(=O)[nH]c3)cc2)N1
InChIInChI=1S/C23H17FN4O4/c24-17-7-3-15-11-28(20(30)18(15)9-17)12-23(21(31)26-22(32)27-23)16-5-1-13(2-6-16)14-4-8-19(29)25-10-14/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)/t23-/m0/s1
InChIKeyNLIDMRJVJJLMCT-QHCPKHFHSA-N
MW432.41 g/mol
LogP1.87
Rot. Bonds4

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

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 46933693) has the molecular formula C23H17FN4O4 and a molecular weight of 432.41 g/mol. Its IUPAC name is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
PubChem CID46933693
Molecular FormulaC23H17FN4O4
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC Name(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(=O)[nH]c3)cc2)N1
InChIInChI=1S/C23H17FN4O4/c24-17-7-3-15-11-28(20(30)18(15)9-17)12-23(21(31)26-22(32)27-23)16-5-1-13(2-6-16)14-4-8-19(29)25-10-14/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)/t23-/m0/s1
InChIKeyNLIDMRJVJJLMCT-QHCPKHFHSA-N
XLogP1.87
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione (CID 46933693) is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(=O)[nH]c3)cc2)N1.
What is the InChIKey of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NLIDMRJVJJLMCT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17FN4O4/c24-17-7-3-15-11-28(20(30)18(15)9-17)12-23(21(31)26-22(32)27-23)16-5-1-13(2-6-16)14-4-8-19(29)25-10-14/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)/t23-/m0/s1.
What are the key properties of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 432.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46933693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).