8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C22H19F2N5O3 — CID 118366350

About 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118366350) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 118366350
• Molecular Formula: C22H19F2N5O3
• Molecular Weight: 439.42 g/mol
• Exact Mass: 439.15
• IUPAC Name: 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: O=C(CN1C(=O)NC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2cnc3cccnn23)cc1
• InChI: InChI=1S/C22H19F2N5O3/c23-22(24)9-7-21(8-10-22)19(31)28(20(32)27-21)13-17(30)15-5-3-14(4-6-15)16-12-25-18-2-1-11-26-29(16)18/h1-6,11-12H,7-10,13H2,(H,27,32)
• InChIKey: HYZRTTJMGBAMTG-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 96.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.42
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118366350) is 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2cnc3cccnn23)cc1.

What is the InChIKey of 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is HYZRTTJMGBAMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c23-22(24)9-7-21(8-10-22)19(31)28(20(32)27-21)13-17(30)15-5-3-14(4-6-15)16-12-25-18-2-1-11-26-29(16)18/h1-6,11-12H,7-10,13H2,(H,27,32).

What are the key properties of 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 439.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-difluoro-3-[2-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).