2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide

C25H32FN5O3 — CID 55954998

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide (PubChem CID 55954998) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
• PubChem CID: 55954998
• Molecular Formula: C25H32FN5O3
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.25
• IUPAC Name: 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
• SMILES: CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCCc1cc(-c3cccc(F)c3)n[nH]1)C2=O
• InChI: InChI=1S/C25H32FN5O3/c1-3-17-9-11-25(12-10-17)23(33)31(24(34)27-25)16-22(32)30(2)13-5-8-20-15-21(29-28-20)18-6-4-7-19(26)14-18/h4,6-7,14-15,17H,3,5,8-13,16H2,1-2H3,(H,27,34)(H,28,29)
• InChIKey: ORKSDWZQVFBEDX-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
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 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?

The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide (CID 55954998) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide.

What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?

The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCCc1cc(-c3cccc(F)c3)n[nH]1)C2=O.

What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?

The InChIKey is ORKSDWZQVFBEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-3-17-9-11-25(12-10-17)23(33)31(24(34)27-25)16-22(32)30(2)13-5-8-20-15-21(29-28-20)18-6-4-7-19(26)14-18/h4,6-7,14-15,17H,3,5,8-13,16H2,1-2H3,(H,27,34)(H,28,29).

What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide has a molecular weight of 469.56 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide is sourced from PubChem (CID 55954998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).