N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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

C27H24F5N5O3 — CID 118957923

About N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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 118957923) has the molecular formula C27H24F5N5O3 and a molecular weight of 561.51 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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: 118957923
• Molecular Formula: C27H24F5N5O3
• Molecular Weight: 561.51 g/mol
• Exact Mass: 561.18
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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(Cc1cc(F)cc(F)c1)C(=O)CN1C(=O)N[C@]2(CCc3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C27H24F5N5O3/c1-15(27(30,31)32)36(12-16-7-20(28)10-21(29)8-16)23(38)14-37-24(39)26(34-25(37)40)6-5-18-9-17(3-4-22(18)26)19-11-33-35(2)13-19/h3-4,7-11,13,15H,5-6,12,14H2,1-2H3,(H,34,40)/t15-,26-/m0/s1
• InChIKey: CQQMJYDBUGMCBY-HAWMADMCSA-N
• XLogP: 4.04
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.51
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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 118957923) is N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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(Cc1cc(F)cc(F)c1)C(=O)CN1C(=O)N[C@]2(CCc3cc(-c4cnn(C)c4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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 CQQMJYDBUGMCBY-HAWMADMCSA-N. The full InChI is InChI=1S/C27H24F5N5O3/c1-15(27(30,31)32)36(12-16-7-20(28)10-21(29)8-16)23(38)14-37-24(39)26(34-25(37)40)6-5-18-9-17(3-4-22(18)26)19-11-33-35(2)13-19/h3-4,7-11,13,15H,5-6,12,14H2,1-2H3,(H,34,40)/t15-,26-/m0/s1.

What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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-[(3,5-difluorophenyl)methyl]-2-[(3S)-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 561.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-2-[(3S)-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 118957923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).