(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

C24H19FN4O4 — CID 90795928

IUPAC(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ncccc5F)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H19FN4O4/c1-33-17-9-6-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)16-7-4-14(5-8-16)20-19(25)3-2-10-26-20/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyYZSKYKRGSCUBHN-DEOSSOPVSA-N
MW446.44 g/mol
LogP3.29
Rot. Bonds5

About (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90795928) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90795928
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ncccc5F)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C24H19FN4O4/c1-33-17-9-6-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)16-7-4-14(5-8-16)20-19(25)3-2-10-26-20/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m0/s1
InChIKeyYZSKYKRGSCUBHN-DEOSSOPVSA-N
XLogP3.29
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90795928) is (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4ccc(-c5ncccc5F)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YZSKYKRGSCUBHN-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-33-17-9-6-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)16-7-4-14(5-8-16)20-19(25)3-2-10-26-20/h2-12,30H,13H2,1H3,(H2,27,28,31,32)/t24-/m0/s1.
What are the key properties of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 446.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90795928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).