3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C48H44F2N8O6S2 — CID 11607635

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 11607635) has the molecular formula C48H44F2N8O6S2 and a molecular weight of 931.06 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

• Compound Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• PubChem CID: 11607635
• Molecular Formula: C48H44F2N8O6S2
• Molecular Weight: 931.06 g/mol
• Exact Mass: 930.28
• IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• SMILES: Cc1c(N2C(=O)CSC23C(=O)N(CCCCCCN2C(=O)C4(SCC(=O)N4c4c(C)n(C)n(-c5ccccc5)c4=O)c4cc(F)ccc42)c2ccc(F)cc23)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C48H44F2N8O6S2/c1-29-41(43(61)57(51(29)3)33-15-9-7-10-16-33)55-39(59)27-65-47(55)35-25-31(49)19-21-37(35)53(45(47)63)23-13-5-6-14-24-54-38-22-20-32(50)26-36(38)48(46(54)64)56(40(60)28-66-48)42-30(2)52(4)58(44(42)62)34-17-11-8-12-18-34/h7-12,15-22,25-26H,5-6,13-14,23-24,27-28H2,1-4H3
• InChIKey: QALMDSUHTJYOAF-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 135.10 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.06
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 11607635) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1c(N2C(=O)CSC23C(=O)N(CCCCCCN2C(=O)C4(SCC(=O)N4c4c(C)n(C)n(-c5ccccc5)c4=O)c4cc(F)ccc42)c2ccc(F)cc23)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The InChIKey is QALMDSUHTJYOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44F2N8O6S2/c1-29-41(43(61)57(51(29)3)33-15-9-7-10-16-33)55-39(59)27-65-47(55)35-25-31(49)19-21-37(35)53(45(47)63)23-13-5-6-14-24-54-38-22-20-32(50)26-36(38)48(46(54)64)56(40(60)28-66-48)42-30(2)52(4)58(44(42)62)34-17-11-8-12-18-34/h7-12,15-22,25-26H,5-6,13-14,23-24,27-28H2,1-4H3.

What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 931.06 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1'-[6-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]hexyl]-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 11607635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).