4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C25H20F3N3O4 — CID 152644488

About 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 152644488) has the molecular formula C25H20F3N3O4 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

• Compound Name: 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• PubChem CID: 152644488
• Molecular Formula: C25H20F3N3O4
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.14
• IUPAC Name: 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• SMILES: COc1ccc(-c2cnccc2N2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C23CC3C)cc1
• InChI: InChI=1S/C25H20F3N3O4/c1-15-13-24(15)22(32)30(17-5-9-19(10-6-17)35-25(26,27)28)23(33)31(24)21-11-12-29-14-20(21)16-3-7-18(34-2)8-4-16/h3-12,14-15H,13H2,1-2H3
• InChIKey: ZGGKNXFYBUIRGE-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 71.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
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 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The IUPAC name of 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 152644488) is 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

What is the SMILES notation for 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The canonical SMILES for 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is COc1ccc(-c2cnccc2N2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C23CC3C)cc1.

What is the InChIKey of 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The InChIKey is ZGGKNXFYBUIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4/c1-15-13-24(15)22(32)30(17-5-9-19(10-6-17)35-25(26,27)28)23(33)31(24)21-11-12-29-14-20(21)16-3-7-18(34-2)8-4-16/h3-12,14-15H,13H2,1-2H3.

What are the key properties of 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 483.45 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-methoxyphenyl)-4-pyridinyl]-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 152644488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).