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

C28H26F4N6O5 — CID 135203742

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

2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide (PubChem CID 135203742) has the molecular formula C28H26F4N6O5 and a molecular weight of 602.55 g/mol. Its IUPAC name is 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide
• PubChem CID: 135203742
• Molecular Formula: C28H26F4N6O5
• Molecular Weight: 602.55 g/mol
• Exact Mass: 602.19
• IUPAC Name: 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide
• SMILES: CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CC(O)c3cc(-c4cnn(CC(N)=O)c4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C28H26F4N6O5/c1-15(28(30,31)32)37(11-16-2-5-19(29)6-3-16)24(41)14-38-25(42)27(35-26(38)43)9-22(39)20-8-17(4-7-21(20)27)18-10-34-36(12-18)13-23(33)40/h2-8,10,12,15,22,39H,9,11,13-14H2,1H3,(H2,33,40)(H,35,43)
• InChIKey: OYQZRUAHZARKRV-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 150.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.55
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide (CID 135203742) is 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide.

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

The canonical SMILES for 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide is CC(N(Cc1ccc(F)cc1)C(=O)CN1C(=O)NC2(CC(O)c3cc(-c4cnn(CC(N)=O)c4)ccc32)C1=O)C(F)(F)F.

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

The InChIKey is OYQZRUAHZARKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N6O5/c1-15(28(30,31)32)37(11-16-2-5-19(29)6-3-16)24(41)14-38-25(42)27(35-26(38)43)9-22(39)20-8-17(4-7-21(20)27)18-10-34-36(12-18)13-23(33)40/h2-8,10,12,15,22,39H,9,11,13-14H2,1H3,(H2,33,40)(H,35,43).

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

2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide has a molecular weight of 602.55 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1'-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-3-hydroxy-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 135203742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).