2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide

C30H29F5N6O4 — CID 118957018

About 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide

2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide (PubChem CID 118957018) has the molecular formula C30H29F5N6O4 and a molecular weight of 632.59 g/mol. Its IUPAC name is 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide
• PubChem CID: 118957018
• Molecular Formula: C30H29F5N6O4
• Molecular Weight: 632.59 g/mol
• Exact Mass: 632.22
• IUPAC Name: 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@H](F)c3cc(-c4cnn(CC(=O)N(C)C)c4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C30H29F5N6O4/c1-17(30(33,34)35)40(13-18-4-7-21(31)8-5-18)26(43)16-41-27(44)29(37-28(41)45)11-24(32)22-10-19(6-9-23(22)29)20-12-36-39(14-20)15-25(42)38(2)3/h4-10,12,14,17,24H,11,13,15-16H2,1-3H3,(H,37,45)/t17-,24-,29-/m0/s1
• InChIKey: XAXOSUXIWGHVMS-YZNPHYLBSA-N
• XLogP: 3.92
• TPSA: 107.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.59
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
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,3S)-3-fluoro-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]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide (CID 118957018) is 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(C[C@H](F)c3cc(-c4cnn(CC(=O)N(C)C)c4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide?

The InChIKey is XAXOSUXIWGHVMS-YZNPHYLBSA-N. The full InChI is InChI=1S/C30H29F5N6O4/c1-17(30(33,34)35)40(13-18-4-7-21(31)8-5-18)26(43)16-41-27(44)29(37-28(41)45)11-24(32)22-10-19(6-9-23(22)29)20-12-36-39(14-20)15-25(42)38(2)3/h4-10,12,14,17,24H,11,13,15-16H2,1-3H3,(H,37,45)/t17-,24-,29-/m0/s1.

What are the key properties of 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide?

2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide has a molecular weight of 632.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1S,3S)-3-fluoro-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]-N,N-dimethylacetamide is sourced from PubChem (CID 118957018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).