(5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H21FN4O4 — CID 143510285

About (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143510285) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 143510285
• Molecular Formula: C25H21FN4O4
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.15
• IUPAC Name: (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Cc4ccc(F)cn4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H21FN4O4/c1-34-20-9-4-16-13-30(22(31)21(16)11-20)14-25(23(32)28-24(33)29-25)17-5-2-15(3-6-17)10-19-8-7-18(26)12-27-19/h2-9,11-12H,10,13-14H2,1H3,(H2,28,29,32,33)/t25-/m0/s1
• InChIKey: LNGWKDPSUJHFTM-VWLOTQADSA-N
• XLogP: 2.51
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 143510285) is (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Cc4ccc(F)cn4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is LNGWKDPSUJHFTM-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-34-20-9-4-16-13-30(22(31)21(16)11-20)14-25(23(32)28-24(33)29-25)17-5-2-15(3-6-17)10-19-8-7-18(26)12-27-19/h2-9,11-12H,10,13-14H2,1H3,(H2,28,29,32,33)/t25-/m0/s1.

What are the key properties of (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 460.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-[(5-fluoro-2-pyridinyl)methyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).