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

C26H20FN5O3 — CID 90930043

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1ncc2cc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C26H20FN5O3/c1-31-22-9-5-16(10-18(22)12-28-31)15-2-6-19(7-3-15)26(24(34)29-25(35)30-26)14-32-13-17-4-8-20(27)11-21(17)23(32)33/h2-13,33H,14H2,1H3,(H2,29,30,34,35)/t26-/m0/s1
InChIKeyHORRAEKBPQVKBA-SANMLTNESA-N
MW469.48 g/mol
LogP3.77
Rot. Bonds4

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

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 90930043) has the molecular formula C26H20FN5O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID90930043
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1ncc2cc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C26H20FN5O3/c1-31-22-9-5-16(10-18(22)12-28-31)15-2-6-19(7-3-15)26(24(34)29-25(35)30-26)14-32-13-17-4-8-20(27)11-21(17)23(32)33/h2-13,33H,14H2,1H3,(H2,29,30,34,35)/t26-/m0/s1
InChIKeyHORRAEKBPQVKBA-SANMLTNESA-N
XLogP3.77
TPSA101.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.77
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-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 90930043) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is Cn1ncc2cc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)ccc21.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is HORRAEKBPQVKBA-SANMLTNESA-N. The full InChI is InChI=1S/C26H20FN5O3/c1-31-22-9-5-16(10-18(22)12-28-31)15-2-6-19(7-3-15)26(24(34)29-25(35)30-26)14-32-13-17-4-8-20(27)11-21(17)23(32)33/h2-13,33H,14H2,1H3,(H2,29,30,34,35)/t26-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 469.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90930043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).