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

C25H25F3N6O3 — CID 163283203

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1
InChIInChI=1S/C25H25F3N6O3/c1-15(2)32-10-8-25(9-11-32)23(35)33(24(36)34(25)19-5-3-4-17(26)12-19)14-18-7-6-16(13-29-18)21-30-31-22(37-21)20(27)28/h3-7,12-13,15,20H,8-11,14H2,1-2H3
InChIKeyUQUGHUQGFQSDFF-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.42
Rot. Bonds6

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 163283203) has the molecular formula C25H25F3N6O3 and a molecular weight of 514.51 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID163283203
Molecular FormulaC25H25F3N6O3
Molecular Weight514.51 g/mol
Exact Mass514.19
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1
InChIInChI=1S/C25H25F3N6O3/c1-15(2)32-10-8-25(9-11-32)23(35)33(24(36)34(25)19-5-3-4-17(26)12-19)14-18-7-6-16(13-29-18)21-30-31-22(37-21)20(27)28/h3-7,12-13,15,20H,8-11,14H2,1-2H3
InChIKeyUQUGHUQGFQSDFF-UHFFFAOYSA-N
XLogP4.42
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-propan-2-yl-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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 163283203) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N1CCC2(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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UQUGHUQGFQSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O3/c1-15(2)32-10-8-25(9-11-32)23(35)33(24(36)34(25)19-5-3-4-17(26)12-19)14-18-7-6-16(13-29-18)21-30-31-22(37-21)20(27)28/h3-7,12-13,15,20H,8-11,14H2,1-2H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 514.51 g/mol, XLogP of 4.42, 6 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-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 163283203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).