methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C26H20F2N8O3 — CID 90241174

About methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 90241174) has the molecular formula C26H20F2N8O3 and a molecular weight of 530.50 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
• PubChem CID: 90241174
• Molecular Formula: C26H20F2N8O3
• Molecular Weight: 530.50 g/mol
• Exact Mass: 530.16
• IUPAC Name: methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
• SMILES: COC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1
• InChI: InChI=1S/C26H20F2N8O3/c1-39-26(38)34-10-11-35-22(14-34)32-23(15-2-4-17(27)5-3-15)24(35)18-6-7-21-30-20(13-36(21)33-18)31-25(37)16-8-9-29-19(28)12-16/h2-9,12-13H,10-11,14H2,1H3,(H,31,37)
• InChIKey: PZUJMBRTVSRHLX-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 119.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.50
LogP ≤ 5	3.77
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 methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?

The IUPAC name of methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 90241174) is methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?

The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is COC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1.

What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?

The InChIKey is PZUJMBRTVSRHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N8O3/c1-39-26(38)34-10-11-35-22(14-34)32-23(15-2-4-17(27)5-3-15)24(35)18-6-7-21-30-20(13-36(21)33-18)31-25(37)16-8-9-29-19(28)12-16/h2-9,12-13H,10-11,14H2,1H3,(H,31,37).

What are the key properties of methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?

methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 530.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 90241174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).