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

C25H22N4O4 — CID 46933694

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyHGPPYGXNQCWPLJ-VWLOTQADSA-N
MW442.48 g/mol
LogP2.76
Rot. Bonds5

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 46933694) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
PubChem CID46933694
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyHGPPYGXNQCWPLJ-VWLOTQADSA-N
XLogP2.76
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)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

Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(pyridin-3-ylethynyl)imidazolidine-2,4-dione
CID 17754305
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 46198902
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(pyrazin-2-yl)imidazolidine-2,4-dione
CID 46881608
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyrimidin-5-yl)phenyl)imidazolidine-2,4-dione
CID 49865107
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865168
(R)-5-((4-(3-hydroxypyridin-2-yl)phenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941250
(R)-5-((1H-indol-5-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941303
(R)-5-((1H-indol-6-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942531
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((6-((1-methylpiperidin-4-yl)methyl)pyridin-3-yl)ethynyl)imidazolidine-2,4-dione
CID 52944849

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 46933694) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is HGPPYGXNQCWPLJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46933694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).