N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide

C₂₆H₂₀FN₇O — CID 118538911

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide (PubChem CID 118538911) has the molecular formula C₂₆H₂₀FN₇O and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
• PubChem CID: 118538911
• Molecular Formula: C₂₆H₂₀FN₇O
• Molecular Weight: 465.49 g/mol
• Exact Mass: 465.17
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
• SMILES: Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C
• InChI: InChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35)
• InChIKey: NVZXZYRCZOJTKA-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 92.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.49
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?

The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide (CID 118538911) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide.

What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?

The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C.

What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?

The InChIKey is NVZXZYRCZOJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35).

What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 118538911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118538911 — identifiers, structure, computed properties (public domain)

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