(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

C26H20FN5O3 — CID 91255807

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCc1[nH]nc2ccc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)cc12
InChIInChI=1S/C26H20FN5O3/c1-14-20-10-16(5-9-22(20)31-30-14)15-2-6-18(7-3-15)26(24(34)28-25(35)29-26)13-32-12-17-4-8-19(27)11-21(17)23(32)33/h2-12,33H,13H2,1H3,(H,30,31)(H2,28,29,34,35)/t26-/m0/s1
InChIKeyNKGMMWYWEOGRBQ-SANMLTNESA-N
MW469.48 g/mol
LogP4.07
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91255807) 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-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID91255807
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCc1[nH]nc2ccc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)cc12
InChIInChI=1S/C26H20FN5O3/c1-14-20-10-16(5-9-22(20)31-30-14)15-2-6-18(7-3-15)26(24(34)28-25(35)29-26)13-32-12-17-4-8-19(27)11-21(17)23(32)33/h2-12,33H,13H2,1H3,(H,30,31)(H2,28,29,34,35)/t26-/m0/s1
InChIKeyNKGMMWYWEOGRBQ-SANMLTNESA-N
XLogP4.07
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.07
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-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 91255807) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-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-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is Cc1[nH]nc2ccc(-c3ccc([C@]4(Cn5cc6ccc(F)cc6c5O)NC(=O)NC4=O)cc3)cc12.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NKGMMWYWEOGRBQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H20FN5O3/c1-14-20-10-16(5-9-22(20)31-30-14)15-2-6-18(7-3-15)26(24(34)28-25(35)29-26)13-32-12-17-4-8-19(27)11-21(17)23(32)33/h2-12,33H,13H2,1H3,(H,30,31)(H2,28,29,34,35)/t26-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 469.48 g/mol, XLogP of 4.07, 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-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91255807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).