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

C21H24F2N8O4 — CID 166825657

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

N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166825657) has the molecular formula C21H24F2N8O4 and a molecular weight of 490.47 g/mol. Its IUPAC name is N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166825657
• Molecular Formula: C21H24F2N8O4
• Molecular Weight: 490.47 g/mol
• Exact Mass: 490.19
• IUPAC Name: N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
• SMILES: O=C(CC1CC(F)(F)C1)NCc1cnn2cc(CNC(=O)c3nonc3N3CCOCC3)nc2c1
• InChI: InChI=1S/C21H24F2N8O4/c22-21(23)7-13(8-21)6-17(32)24-9-14-5-16-27-15(12-31(16)26-10-14)11-25-20(33)18-19(29-35-28-18)30-1-3-34-4-2-30/h5,10,12-13H,1-4,6-9,11H2,(H,24,32)(H,25,33)
• InChIKey: OGAJZWJQMNNGMM-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 139.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.47
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide (CID 166825657) is N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide.

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

The canonical SMILES for N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide is O=C(CC1CC(F)(F)C1)NCc1cnn2cc(CNC(=O)c3nonc3N3CCOCC3)nc2c1.

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

The InChIKey is OGAJZWJQMNNGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N8O4/c22-21(23)7-13(8-21)6-17(32)24-9-14-5-16-27-15(12-31(16)26-10-14)11-25-20(33)18-19(29-35-28-18)30-1-3-34-4-2-30/h5,10,12-13H,1-4,6-9,11H2,(H,24,32)(H,25,33).

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

N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 490.47 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).