(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C24H20FN3O4 — CID 90738341

IUPAC(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(OCC#CC4CC4)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H20FN3O4/c25-18-8-6-17(7-9-18)24(22(30)26-23(31)27-24)14-28-13-16-5-10-19(12-20(16)21(28)29)32-11-1-2-15-3-4-15/h5-10,12-13,15,29H,3-4,11,14H2,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyOAUOQKOXEDRKRE-DEOSSOPVSA-N
MW433.44 g/mol
LogP3.01
Rot. Bonds5

About (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 90738341) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID90738341
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(OCC#CC4CC4)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H20FN3O4/c25-18-8-6-17(7-9-18)24(22(30)26-23(31)27-24)14-28-13-16-5-10-19(12-20(16)21(28)29)32-11-1-2-15-3-4-15/h5-10,12-13,15,29H,3-4,11,14H2,(H2,26,27,30,31)/t24-/m0/s1
InChIKeyOAUOQKOXEDRKRE-DEOSSOPVSA-N
XLogP3.01
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 90738341) is (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(OCC#CC4CC4)cc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is OAUOQKOXEDRKRE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-18-8-6-17(7-9-18)24(22(30)26-23(31)27-24)14-28-13-16-5-10-19(12-20(16)21(28)29)32-11-1-2-15-3-4-15/h5-10,12-13,15,29H,3-4,11,14H2,(H2,26,27,30,31)/t24-/m0/s1.
What are the key properties of (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 433.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[6-(3-cyclopropylprop-2-ynoxy)-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90738341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).