tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid

C51H47F9N12O10 — CID 175900882

About tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid

tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 175900882) has the molecular formula C51H47F9N12O10 and a molecular weight of 1158.99 g/mol. Its IUPAC name is tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
• PubChem CID: 175900882
• Molecular Formula: C51H47F9N12O10
• Molecular Weight: 1158.99 g/mol
• Exact Mass: 1158.34
• IUPAC Name: tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1.O=C(O)C(F)(F)F.O=C1N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)C2(CCNCC2)N1c1cccc(F)c1
• InChI: InChI=1S/C27H27F3N6O5.C22H19F3N6O3.C2HF3O2/c1-26(2,3)41-25(39)34-11-9-27(10-12-34)23(37)35(24(38)36(27)19-6-4-5-17(28)13-19)15-18-8-7-16(14-31-18)21-32-33-22(40-21)20(29)30;23-14-2-1-3-16(10-14)31-21(33)30(20(32)22(31)6-8-26-9-7-22)12-15-5-4-13(11-27-15)18-28-29-19(34-18)17(24)25;3-2(4,5)1(6)7/h4-8,13-14,20H,9-12,15H2,1-3H3;1-5,10-11,17,26H,6-9,12H2;(H,6,7)
• InChIKey: JSCSBUVVYMKYKT-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 263.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.99
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid (CID 175900882) is tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(-c3nnc(C(F)F)o3)cn1)C(=O)N2c1cccc(F)c1.O=C(O)C(F)(F)F.O=C1N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)C2(CCNCC2)N1c1cccc(F)c1.

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

The InChIKey is JSCSBUVVYMKYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O5.C22H19F3N6O3.C2HF3O2/c1-26(2,3)41-25(39)34-11-9-27(10-12-34)23(37)35(24(38)36(27)19-6-4-5-17(28)13-19)15-18-8-7-16(14-31-18)21-32-33-22(40-21)20(29)30;23-14-2-1-3-16(10-14)31-21(33)30(20(32)22(31)6-8-26-9-7-22)12-15-5-4-13(11-27-15)18-28-29-19(34-18)17(24)25;3-2(4,5)1(6)7/h4-8,13-14,20H,9-12,15H2,1-3H3;1-5,10-11,17,26H,6-9,12H2;(H,6,7).

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

tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 1158.99 g/mol, XLogP of 8.88, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate;3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175900882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).