N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide

C20H22FN5O2 — CID 123544334

About N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide

N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide (PubChem CID 123544334) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide
• PubChem CID: 123544334
• Molecular Formula: C20H22FN5O2
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.18
• IUPAC Name: N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide
• SMILES: CC1(C)CC(c2cccc(F)c2)N(c2ccc3ncc(NC(=O)CO)n3n2)C1
• InChI: InChI=1S/C20H22FN5O2/c1-20(2)9-15(13-4-3-5-14(21)8-13)25(12-20)17-7-6-16-22-10-18(26(16)24-17)23-19(28)11-27/h3-8,10,15,27H,9,11-12H2,1-2H3,(H,23,28)
• InChIKey: HREZBWWENJAXEQ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 82.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide?

The IUPAC name of N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide (CID 123544334) is N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide.

What is the SMILES notation for N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide?

The canonical SMILES for N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide is CC1(C)CC(c2cccc(F)c2)N(c2ccc3ncc(NC(=O)CO)n3n2)C1.

What is the InChIKey of N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide?

The InChIKey is HREZBWWENJAXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-20(2)9-15(13-4-3-5-14(21)8-13)25(12-20)17-7-6-16-22-10-18(26(16)24-17)23-19(28)11-27/h3-8,10,15,27H,9,11-12H2,1-2H3,(H,23,28).

What are the key properties of N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide?

N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide has a molecular weight of 383.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(3-fluorophenyl)-4,4-dimethylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 123544334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).