3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

C24H27FN4O3 — CID 92615627

About 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 92615627) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 92615627
• Molecular Formula: C24H27FN4O3
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.21
• IUPAC Name: 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)NC(=O)N(CCC(=O)N2CCC[C@H]2c2ccc(Cc3cccc(F)c3)cn2)C1=O
• InChI: InChI=1S/C24H27FN4O3/c1-24(2)22(31)29(23(32)27-24)12-10-21(30)28-11-4-7-20(28)19-9-8-17(15-26-19)13-16-5-3-6-18(25)14-16/h3,5-6,8-9,14-15,20H,4,7,10-13H2,1-2H3,(H,27,32)/t20-/m0/s1
• InChIKey: YAXZVFZWFAMACR-FQEVSTJZSA-N
• XLogP: 3.20
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 92615627) is 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCC[C@H]2c2ccc(Cc3cccc(F)c3)cn2)C1=O.

What is the InChIKey of 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is YAXZVFZWFAMACR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-24(2)22(31)29(23(32)27-24)12-10-21(30)28-11-4-7-20(28)19-9-8-17(15-26-19)13-16-5-3-6-18(25)14-16/h3,5-6,8-9,14-15,20H,4,7,10-13H2,1-2H3,(H,27,32)/t20-/m0/s1.

What are the key properties of 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?

3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 438.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 92615627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).