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

C22H21F3N8O3 — CID 166825514

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

N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166825514) has the molecular formula C22H21F3N8O3 and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166825514
• Molecular Formula: C22H21F3N8O3
• Molecular Weight: 502.46 g/mol
• Exact Mass: 502.17
• IUPAC Name: N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)NCc1cn2ncc(C(NC(=O)CC3(C(F)(F)F)CC3)C3(C#N)CC3)cc2n1
• InChI: InChI=1S/C22H21F3N8O3/c1-12-17(32-36-31-12)19(35)27-9-14-10-33-15(29-14)6-13(8-28-33)18(20(11-26)2-3-20)30-16(34)7-21(4-5-21)22(23,24)25/h6,8,10,18H,2-5,7,9H2,1H3,(H,27,35)(H,30,34)
• InChIKey: XYJJLCVDLJVUPJ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 151.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166825514) is N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]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-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCc1cn2ncc(C(NC(=O)CC3(C(F)(F)F)CC3)C3(C#N)CC3)cc2n1.

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

The InChIKey is XYJJLCVDLJVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O3/c1-12-17(32-36-31-12)19(35)27-9-14-10-33-15(29-14)6-13(8-28-33)18(20(11-26)2-3-20)30-16(34)7-21(4-5-21)22(23,24)25/h6,8,10,18H,2-5,7,9H2,1H3,(H,27,35)(H,30,34).

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

N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 502.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166825514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).