(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

C23H19N5O4 — CID 91337439

IUPAC(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(C[C@@]3(c4ccc(-c5cnccn5)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H19N5O4/c1-32-17-6-7-18-15(10-17)12-28(20(18)29)13-23(21(30)26-22(31)27-23)16-4-2-14(3-5-16)19-11-24-8-9-25-19/h2-12,29H,13H2,1H3,(H2,26,27,30,31)/t23-/m0/s1
InChIKeyFKRSFYFBNKYODG-QHCPKHFHSA-N
MW429.44 g/mol
LogP2.55
Rot. Bonds5

About (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 91337439) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID91337439
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(C[C@@]3(c4ccc(-c5cnccn5)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C23H19N5O4/c1-32-17-6-7-18-15(10-17)12-28(20(18)29)13-23(21(30)26-22(31)27-23)16-4-2-14(3-5-16)19-11-24-8-9-25-19/h2-12,29H,13H2,1H3,(H2,26,27,30,31)/t23-/m0/s1
InChIKeyFKRSFYFBNKYODG-QHCPKHFHSA-N
XLogP2.55
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 90881623
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354
(5R)-5-[[1-hydroxy-6-(2,2,2-trifluoroethoxy)isoindol-2-yl]methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91388976
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
CID 91571638
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (CID 91337439) is (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is COc1ccc2c(O)n(C[C@@]3(c4ccc(-c5cnccn5)cc4)NC(=O)NC3=O)cc2c1.
What is the InChIKey of (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is FKRSFYFBNKYODG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-32-17-6-7-18-15(10-17)12-28(20(18)29)13-23(21(30)26-22(31)27-23)16-4-2-14(3-5-16)19-11-24-8-9-25-19/h2-12,29H,13H2,1H3,(H2,26,27,30,31)/t23-/m0/s1.
What are the key properties of (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 429.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91337439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).