2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide

C28H26F4N6O4 — CID 118956862

About 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide

2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide (PubChem CID 118956862) has the molecular formula C28H26F4N6O4 and a molecular weight of 586.55 g/mol. Its IUPAC name is 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide
• PubChem CID: 118956862
• Molecular Formula: C28H26F4N6O4
• Molecular Weight: 586.55 g/mol
• Exact Mass: 586.20
• IUPAC Name: 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCc3cc(-c4cnn(CC(N)=O)c4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C28H26F4N6O4/c1-16(28(30,31)32)37(12-17-2-5-21(29)6-3-17)24(40)15-38-25(41)27(35-26(38)42)9-8-19-10-18(4-7-22(19)27)20-11-34-36(13-20)14-23(33)39/h2-7,10-11,13,16H,8-9,12,14-15H2,1H3,(H2,33,39)(H,35,42)/t16-,27-/m0/s1
• InChIKey: NTMGZVGYQCTJJU-OQRWROFFSA-N
• XLogP: 2.85
• TPSA: 130.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.55
LogP ≤ 5	2.85
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 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide?

The IUPAC name of 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide (CID 118956862) is 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide.

What is the SMILES notation for 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCc3cc(-c4cnn(CC(N)=O)c4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide?

The InChIKey is NTMGZVGYQCTJJU-OQRWROFFSA-N. The full InChI is InChI=1S/C28H26F4N6O4/c1-16(28(30,31)32)37(12-17-2-5-21(29)6-3-17)24(40)15-38-25(41)27(35-26(38)42)9-8-19-10-18(4-7-22(19)27)20-11-34-36(13-20)14-23(33)39/h2-7,10-11,13,16H,8-9,12,14-15H2,1H3,(H2,33,39)(H,35,42)/t16-,27-/m0/s1.

What are the key properties of 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide?

2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide has a molecular weight of 586.55 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1S)-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 118956862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).