N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C20H23F2N7O3 — CID 166825820

About N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166825820) has the molecular formula C20H23F2N7O3 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166825820
• Molecular Formula: C20H23F2N7O3
• Molecular Weight: 447.45 g/mol
• Exact Mass: 447.18
• IUPAC Name: N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: CCC(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CNC(=O)c3nonc3C)nc2c1
• InChI: InChI=1S/C20H23F2N7O3/c1-3-15(26-17(30)4-12-6-20(21,22)7-12)13-5-16-25-14(10-29(16)24-8-13)9-23-19(31)18-11(2)27-32-28-18/h5,8,10,12,15H,3-4,6-7,9H2,1-2H3,(H,23,31)(H,26,30)
• InChIKey: IWXMPGDYUMSGRU-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.45
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166825820) is N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CCC(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CNC(=O)c3nonc3C)nc2c1.

What is the InChIKey of N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is IWXMPGDYUMSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O3/c1-3-15(26-17(30)4-12-6-20(21,22)7-12)13-5-16-25-14(10-29(16)24-8-13)9-23-19(31)18-11(2)27-32-28-18/h5,8,10,12,15H,3-4,6-7,9H2,1-2H3,(H,23,31)(H,26,30).

What are the key properties of N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]propyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166825820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).