6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide

C24H26F4N6O2 — CID 11691921

About 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide

6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 11691921) has the molecular formula C24H26F4N6O2 and a molecular weight of 506.50 g/mol. Its IUPAC name is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide
• PubChem CID: 11691921
• Molecular Formula: C24H26F4N6O2
• Molecular Weight: 506.50 g/mol
• Exact Mass: 506.21
• IUPAC Name: 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide
• SMILES: CCCCCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1
• InChI: InChI=1S/C24H26F4N6O2/c1-2-3-4-9-29-22(35)19-15-34-20(30-19)7-8-21(31-34)32-10-12-33(13-11-32)23(36)17-14-16(25)5-6-18(17)24(26,27)28/h5-8,14-15H,2-4,9-13H2,1H3,(H,29,35)
• InChIKey: CQKHBKHSSXUYNW-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide?

The IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide (CID 11691921) is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide.

What is the SMILES notation for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide?

The canonical SMILES for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide is CCCCCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1.

What is the InChIKey of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide?

The InChIKey is CQKHBKHSSXUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O2/c1-2-3-4-9-29-22(35)19-15-34-20(30-19)7-8-21(31-34)32-10-12-33(13-11-32)23(36)17-14-16(25)5-6-18(17)24(26,27)28/h5-8,14-15H,2-4,9-13H2,1H3,(H,29,35).

What are the key properties of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide?

6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 506.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 11691921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).