N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C24H24F3N5O2 — CID 144734753

About N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 144734753) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• PubChem CID: 144734753
• Molecular Formula: C24H24F3N5O2
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.19
• IUPAC Name: N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
• SMILES: Cc1cc(C)nc(NC=O)c1.Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C
• InChI: InChI=1S/C16H14F3N3O.C8H10N2O/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;1-6-3-7(2)10-8(4-6)9-5-11/h4-8H,1-3H3;3-5H,1-2H3,(H,9,10,11)
• InChIKey: KPGPKECXVFKRHD-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	5.49
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-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 144734753) is N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is Cc1cc(C)nc(NC=O)c1.Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C.

What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

The InChIKey is KPGPKECXVFKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O.C8H10N2O/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;1-6-3-7(2)10-8(4-6)9-5-11/h4-8H,1-3H3;3-5H,1-2H3,(H,9,10,11).

What are the key properties of N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?

N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 471.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dimethyl-2-pyridinyl)formamide;2,3,8-trimethyl-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 144734753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).