N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C27H32F3N7O4 — CID 172695418

About N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 172695418) has the molecular formula C27H32F3N7O4 and a molecular weight of 575.59 g/mol. Its IUPAC name is N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 172695418
• Molecular Formula: C27H32F3N7O4
• Molecular Weight: 575.59 g/mol
• Exact Mass: 575.25
• IUPAC Name: N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](c1cn2ncc([C@@H](COC)N3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C27H32F3N7O4/c1-3-18-17(12-41-35-18)25(38)34-24(23(14-4-5-14)15-6-7-15)19-10-37-22(32-19)8-16(9-31-37)20(13-40-2)36-11-21(27(28,29)30)33-26(36)39/h8-10,12,14-15,20-21,23-24H,3-7,11,13H2,1-2H3,(H,33,39)(H,34,38)/t20-,21+,24-/m1/s1
• InChIKey: CGGOAEXVROTDRE-ZFGGDYGUSA-N
• XLogP: 3.83
• TPSA: 126.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.59
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 172695418) is N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](c1cn2ncc([C@@H](COC)N3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C(C1CC1)C1CC1.

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

The InChIKey is CGGOAEXVROTDRE-ZFGGDYGUSA-N. The full InChI is InChI=1S/C27H32F3N7O4/c1-3-18-17(12-41-35-18)25(38)34-24(23(14-4-5-14)15-6-7-15)19-10-37-22(32-19)8-16(9-31-37)20(13-40-2)36-11-21(27(28,29)30)33-26(36)39/h8-10,12,14-15,20-21,23-24H,3-7,11,13H2,1-2H3,(H,33,39)(H,34,38)/t20-,21+,24-/m1/s1.

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

N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 575.59 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2,2-dicyclopropyl-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 172695418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).