N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C22H19F4N5O2 — CID 144734804

About N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 144734804) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• PubChem CID: 144734804
• Molecular Formula: C22H19F4N5O2
• Molecular Weight: 461.42 g/mol
• Exact Mass: 461.15
• IUPAC Name: N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• SMILES: Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C.O=CNc1ccc(F)cn1
• InChI: InChI=1S/C16H14F3N3O.C6H5FN2O/c1-9-8-13(21-22-11(3)10(2)20-15(9)22)12-6-4-5-7-14(12)23-16(17,18)19;7-5-1-2-6(8-3-5)9-4-10/h4-8H,1-3H3;1-4H,(H,8,9,10)
• InChIKey: RQTHIYUGVGQJJF-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.42
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 144734804) is N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C.O=CNc1ccc(F)cn1.

What is the InChIKey of N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The InChIKey is RQTHIYUGVGQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O.C6H5FN2O/c1-9-8-13(21-22-11(3)10(2)20-15(9)22)12-6-4-5-7-14(12)23-16(17,18)19;7-5-1-2-6(8-3-5)9-4-10/h4-8H,1-3H3;1-4H,(H,8,9,10).

What are the key properties of N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 461.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 144734804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).