(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione

C17H13FN4O3 — CID 143512922

IUPAC(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ncccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C17H13FN4O3/c18-11-5-3-10(4-6-11)17(15(24)20-16(25)21-17)9-22-8-13-12(14(22)23)2-1-7-19-13/h1-7H,8-9H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyZIXYYCXFXXELBT-KRWDZBQOSA-N
MW340.31 g/mol
LogP0.91
Rot. Bonds3

About (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143512922) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
PubChem CID143512922
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ncccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C17H13FN4O3/c18-11-5-3-10(4-6-11)17(15(24)20-16(25)21-17)9-22-8-13-12(14(22)23)2-1-7-19-13/h1-7H,8-9H2,(H2,20,21,24,25)/t17-/m0/s1
InChIKeyZIXYYCXFXXELBT-KRWDZBQOSA-N
XLogP0.91
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 11604430
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 67579699
5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 11510993
5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 24889862
(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 71176740
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 70328628
5-[(1,1-dioxo-3H-1,2-benzothiazol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46881486
7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one
CID 50951879
(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 143510078
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
(5R)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143510401
(5S)-5-(4-bromophenyl)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 11553841

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione (CID 143512922) is (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ncccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZIXYYCXFXXELBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-11-5-3-10(4-6-11)17(15(24)20-16(25)21-17)9-22-8-13-12(14(22)23)2-1-7-19-13/h1-7H,8-9H2,(H2,20,21,24,25)/t17-/m0/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 340.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143512922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).