2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C26H21F3N8O2 — CID 118537150

About 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118537150) has the molecular formula C26H21F3N8O2 and a molecular weight of 534.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118537150
• Molecular Formula: C26H21F3N8O2
• Molecular Weight: 534.50 g/mol
• Exact Mass: 534.17
• IUPAC Name: 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc(F)nc(F)c4)cn3n2)c1N1CCOCC1
• InChI: InChI=1S/C26H21F3N8O2/c1-35-26(36-8-10-39-11-9-36)23(24(34-35)15-2-4-17(27)5-3-15)18-6-7-22-31-21(14-37(22)33-18)32-25(38)16-12-19(28)30-20(29)13-16/h2-7,12-14H,8-11H2,1H3,(H,32,38)
• InChIKey: KVNOHCNIUXRNAJ-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 102.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118537150) is 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc(F)nc(F)c4)cn3n2)c1N1CCOCC1.

What is the InChIKey of 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is KVNOHCNIUXRNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N8O2/c1-35-26(36-8-10-39-11-9-36)23(24(34-35)15-2-4-17(27)5-3-15)18-6-7-22-31-21(14-37(22)33-18)32-25(38)16-12-19(28)30-20(29)13-16/h2-7,12-14H,8-11H2,1H3,(H,32,38).

What are the key properties of 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 534.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118537150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).