3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H21F3N6O3 — CID 163283200

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 163283200) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 163283200
• Molecular Formula: C23H21F3N6O3
• Molecular Weight: 486.45 g/mol
• Exact Mass: 486.16
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1
• InChI: InChI=1S/C23H21F3N6O3/c1-30-9-7-23(8-10-30)21(33)31(22(34)32(23)17-4-2-3-15(24)11-17)13-16-6-5-14(12-27-16)19-28-29-20(35-19)18(25)26/h2-6,11-12,18H,7-10,13H2,1H3
• InChIKey: QTBMOBKVZTXTRT-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 95.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.45
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 163283200) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is QTBMOBKVZTXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-30-9-7-23(8-10-30)21(33)31(22(34)32(23)17-4-2-3-15(24)11-17)13-16-6-5-14(12-27-16)19-28-29-20(35-19)18(25)26/h2-6,11-12,18H,7-10,13H2,1H3.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 486.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 163283200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).