2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide

C29H27F5N6O5 — CID 118958372

About 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide

2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide (PubChem CID 118958372) has the molecular formula C29H27F5N6O5 and a molecular weight of 634.56 g/mol. Its IUPAC name is 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide
• PubChem CID: 118958372
• Molecular Formula: C29H27F5N6O5
• Molecular Weight: 634.56 g/mol
• Exact Mass: 634.20
• IUPAC Name: 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide
• SMILES: CNC(=O)Cn1cc(-c2cc3c(cc2F)C2(CC3O)NC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
• InChI: InChI=1S/C29H27F5N6O5/c1-15(29(32,33)34)39(11-16-3-5-18(30)6-4-16)25(43)14-40-26(44)28(37-27(40)45)9-23(41)20-7-19(22(31)8-21(20)28)17-10-36-38(12-17)13-24(42)35-2/h3-8,10,12,15,23,41H,9,11,13-14H2,1-2H3,(H,35,42)(H,37,45)/t15-,23?,28?/m0/s1
• InChIKey: AZBBDESZSRWLGZ-IQMUVKHGSA-N
• XLogP: 2.74
• TPSA: 136.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.56
LogP ≤ 5	2.74
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-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide?

The IUPAC name of 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide (CID 118958372) is 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide.

What is the SMILES notation for 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide?

The canonical SMILES for 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide is CNC(=O)Cn1cc(-c2cc3c(cc2F)C2(CC3O)NC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1.

What is the InChIKey of 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide?

The InChIKey is AZBBDESZSRWLGZ-IQMUVKHGSA-N. The full InChI is InChI=1S/C29H27F5N6O5/c1-15(29(32,33)34)39(11-16-3-5-18(30)6-4-16)25(43)14-40-26(44)28(37-27(40)45)9-23(41)20-7-19(22(31)8-21(20)28)17-10-36-38(12-17)13-24(42)35-2/h3-8,10,12,15,23,41H,9,11,13-14H2,1-2H3,(H,35,42)(H,37,45)/t15-,23?,28?/m0/s1.

What are the key properties of 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide?

2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide has a molecular weight of 634.56 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-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]-N-methylacetamide is sourced from PubChem (CID 118958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).