4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide

C22H24F6N8O4 — CID 176618736

About 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide

4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 176618736) has the molecular formula C22H24F6N8O4 and a molecular weight of 578.47 g/mol. Its IUPAC name is 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 176618736
• Molecular Formula: C22H24F6N8O4
• Molecular Weight: 578.47 g/mol
• Exact Mass: 578.18
• IUPAC Name: 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: COC[C@H](c1cnn2cc([C@H](CC(C)(C)C(F)(F)F)c3nonc3C(N)=O)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O
• InChI: InChI=1S/C22H24F6N8O4/c1-20(2,22(26,27)28)5-11(16-17(18(29)37)34-40-33-16)12-7-36-15(31-12)4-10(6-30-36)13(9-39-3)35-8-14(21(23,24)25)32-19(35)38/h4,6-7,11,13-14H,5,8-9H2,1-3H3,(H2,29,37)(H,32,38)/t11-,13+,14-/m0/s1
• InChIKey: DGUDCGVPALMFHX-YUTCNCBUSA-N
• XLogP: 2.97
• TPSA: 153.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.47
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide (CID 176618736) is 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide is COC[C@H](c1cnn2cc([C@H](CC(C)(C)C(F)(F)F)c3nonc3C(N)=O)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O.

What is the InChIKey of 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is DGUDCGVPALMFHX-YUTCNCBUSA-N. The full InChI is InChI=1S/C22H24F6N8O4/c1-20(2,22(26,27)28)5-11(16-17(18(29)37)34-40-33-16)12-7-36-15(31-12)4-10(6-30-36)13(9-39-3)35-8-14(21(23,24)25)32-19(35)38/h4,6-7,11,13-14H,5,8-9H2,1-3H3,(H2,29,37)(H,32,38)/t11-,13+,14-/m0/s1.

What are the key properties of 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide?

4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 578.47 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 176618736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).