5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide

C30H30F2N6O4 — CID 155074153

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide (PubChem CID 155074153) has the molecular formula C30H30F2N6O4 and a molecular weight of 576.60 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide
• PubChem CID: 155074153
• Molecular Formula: C30H30F2N6O4
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.23
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide
• SMILES: COc1cc(F)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)ccc1C(=O)N1CCCC1(C)C
• InChI: InChI=1S/C30H30F2N6O4/c1-17(39)34-26-16-38-27(35-26)9-8-24(36-38)21-13-22(25(42-4)14-23(21)32)28(40)33-15-18-12-19(31)6-7-20(18)29(41)37-11-5-10-30(37,2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3,(H,33,40)(H,34,39)
• InChIKey: MDELGLHWQXRVRA-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 117.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide (CID 155074153) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide is COc1cc(F)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)ccc1C(=O)N1CCCC1(C)C.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide?

The InChIKey is MDELGLHWQXRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O4/c1-17(39)34-26-16-38-27(35-26)9-8-24(36-38)21-13-22(25(42-4)14-23(21)32)28(40)33-15-18-12-19(31)6-7-20(18)29(41)37-11-5-10-30(37,2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3,(H,33,40)(H,34,39).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide has a molecular weight of 576.60 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(2,2-dimethylpyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-4-fluoro-2-methoxybenzamide is sourced from PubChem (CID 155074153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).