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

C24H24F3N3O3 — CID 150162598

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

4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 150162598) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

• Compound Name: 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• PubChem CID: 150162598
• Molecular Formula: C24H24F3N3O3
• Molecular Weight: 459.47 g/mol
• Exact Mass: 459.18
• IUPAC Name: 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
• SMILES: CC1CC12C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2c1ccncc1C1CCCCC1
• InChI: InChI=1S/C24H24F3N3O3/c1-15-13-23(15)21(31)29(17-7-9-18(10-8-17)33-24(25,26)27)22(32)30(23)20-11-12-28-14-19(20)16-5-3-2-4-6-16/h7-12,14-16H,2-6,13H2,1H3
• InChIKey: FHTCNVXPMISONC-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.47
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
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 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The IUPAC name of 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 150162598) is 4-(3-cyclohexyl-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-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?

The canonical SMILES for 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is CC1CC12C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2c1ccncc1C1CCCCC1.

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

The InChIKey is FHTCNVXPMISONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-15-13-23(15)21(31)29(17-7-9-18(10-8-17)33-24(25,26)27)22(32)30(23)20-11-12-28-14-19(20)16-5-3-2-4-6-16/h7-12,14-16H,2-6,13H2,1H3.

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

4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 459.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyclohexyl-4-pyridinyl)-2-methyl-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 150162598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).