N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C27H25F4N5O4 — CID 118958169

About N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 118958169) has the molecular formula C27H25F4N5O4 and a molecular weight of 559.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• PubChem CID: 118958169
• Molecular Formula: C27H25F4N5O4
• Molecular Weight: 559.52 g/mol
• Exact Mass: 559.18
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](O)c3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C27H25F4N5O4/c1-15(27(29,30)31)35(12-16-3-6-19(28)7-4-16)23(38)14-36-24(39)26(33-25(36)40)10-22(37)20-9-17(5-8-21(20)26)18-11-32-34(2)13-18/h3-9,11,13,15,22,37H,10,12,14H2,1-2H3,(H,33,40)/t15-,22+,26-/m0/s1
• InChIKey: IFHLJULMMRNEDA-ZBUSMBIJSA-N
• XLogP: 3.39
• TPSA: 107.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.52
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 118958169) is N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@@H](O)c3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

The InChIKey is IFHLJULMMRNEDA-ZBUSMBIJSA-N. The full InChI is InChI=1S/C27H25F4N5O4/c1-15(27(29,30)31)35(12-16-3-6-19(28)7-4-16)23(38)14-36-24(39)26(33-25(36)40)10-22(37)20-9-17(5-8-21(20)26)18-11-32-34(2)13-18/h3-9,11,13,15,22,37H,10,12,14H2,1-2H3,(H,33,40)/t15-,22+,26-/m0/s1.

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 559.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[(1R,3S)-1-hydroxy-6-(1-methylpyrazol-4-yl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 118958169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).