(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

C25H18FN5O3 — CID 90772494

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ncc4c3)cc2)N1
InChIInChI=1S/C25H18FN5O3/c26-19-7-3-16-12-31(22(32)20(16)10-19)13-25(23(33)28-24(34)29-25)18-5-1-14(2-6-18)15-4-8-21-17(9-15)11-27-30-21/h1-12,32H,13H2,(H,27,30)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyBOELVTOCWLRJOL-VWLOTQADSA-N
MW455.45 g/mol
LogP3.76
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 90772494) has the molecular formula C25H18FN5O3 and a molecular weight of 455.45 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID90772494
Molecular FormulaC25H18FN5O3
Molecular Weight455.45 g/mol
Exact Mass455.14
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ncc4c3)cc2)N1
InChIInChI=1S/C25H18FN5O3/c26-19-7-3-16-12-31(22(32)20(16)10-19)13-25(23(33)28-24(34)29-25)18-5-1-14(2-6-18)15-4-8-21-17(9-15)11-27-30-21/h1-12,32H,13H2,(H,27,30)(H2,28,29,33,34)/t25-/m0/s1
InChIKeyBOELVTOCWLRJOL-VWLOTQADSA-N
XLogP3.76
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 90772494) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccc4[nH]ncc4c3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is BOELVTOCWLRJOL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H18FN5O3/c26-19-7-3-16-12-31(22(32)20(16)10-19)13-25(23(33)28-24(34)29-25)18-5-1-14(2-6-18)15-4-8-21-17(9-15)11-27-30-21/h1-12,32H,13H2,(H,27,30)(H2,28,29,33,34)/t25-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 455.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90772494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).