2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H19F2N7O2 — CID 118538943

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538943) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538943
• Molecular Formula: C24H19F2N7O2
• Molecular Weight: 475.46 g/mol
• Exact Mass: 475.16
• IUPAC Name: 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: COCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
• InChI: InChI=1S/C24H19F2N7O2/c1-35-11-10-32-14-28-22(15-2-4-17(25)5-3-15)23(32)18-6-7-21-29-20(13-33(21)31-18)30-24(34)16-8-9-27-19(26)12-16/h2-9,12-14H,10-11H2,1H3,(H,30,34)
• InChIKey: LZOOOIOZJUNEHO-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.46
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538943) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is COCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.

What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is LZOOOIOZJUNEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-35-11-10-32-14-28-22(15-2-4-17(25)5-3-15)23(32)18-6-7-21-29-20(13-33(21)31-18)30-24(34)16-8-9-27-19(26)12-16/h2-9,12-14H,10-11H2,1H3,(H,30,34).

What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).