methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate

C140H120F12N12O22 — CID 159289645

About methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate

methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate (PubChem CID 159289645) has the molecular formula C140H120F12N12O22 and a molecular weight of 2550.54 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate.

Molecular Properties

• Compound Name: methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate
• PubChem CID: 159289645
• Molecular Formula: C140H120F12N12O22
• Molecular Weight: 2550.54 g/mol
• Exact Mass: 2548.84
• IUPAC Name: methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate
• SMILES: COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1
• InChI: InChI=1S/2C35H30F3N3O6.2C35H30F3N3O5/c2*1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)47-35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25;2*1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25/h2*5-20,29,31H,1-4H3;2*5-20,29,31H,1-4H3/t29-,31+;29-,31-;29-,31+;29-,31-/m0101/s1
• InChIKey: KZYHXCDHXCVEDW-VEULWIDUSA-N
• XLogP: 28.09
• TPSA: 413.22 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.54
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate?

The IUPAC name of methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate (CID 159289645) is methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate.

What is the SMILES notation for methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate?

The canonical SMILES for methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate is COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.COC(=O)[C@H](OC1=C(C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccc(OC(F)(F)F)cc2)N(c2ccc(C)nn2)C1=O)c1ccccc1.

What is the InChIKey of methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate?

The InChIKey is KZYHXCDHXCVEDW-VEULWIDUSA-N. The full InChI is InChI=1S/2C35H30F3N3O6.2C35H30F3N3O5/c2*1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)47-35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25;2*1-20(2)22-11-13-24(14-12-22)30(42)28-29(23-15-17-26(18-16-23)35(36,37)38)41(27-19-10-21(3)39-40-27)33(43)32(28)46-31(34(44)45-4)25-8-6-5-7-9-25/h2*5-20,29,31H,1-4H3;2*5-20,29,31H,1-4H3/t29-,31+;29-,31-;29-,31+;29-,31-/m0101/s1.

What are the key properties of methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate?

methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate has a molecular weight of 2550.54 g/mol, XLogP of 28.09, 38 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate;methyl (2R)-2-[[(2S)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-pyrrol-4-yl]oxy]-2-phenylacetate is sourced from PubChem (CID 159289645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).