6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C30H25Cl2FN4O4 — CID 142613223

About 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613223) has the molecular formula C30H25Cl2FN4O4 and a molecular weight of 595.46 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613223
• Molecular Formula: C30H25Cl2FN4O4
• Molecular Weight: 595.46 g/mol
• Exact Mass: 594.12
• IUPAC Name: 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCOc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)c1
• InChI: InChI=1S/C30H25Cl2FN4O4/c1-5-41-18-8-9-19(24(14-18)40-4)27-35-25-26(36(27)15(2)3)30(20-10-6-16(31)12-22(20)34-29(30)39)37(28(25)38)23-13-17(32)7-11-21(23)33/h6-15H,5H2,1-4H3,(H,34,39)
• InChIKey: RKNKQBJXJQWVFH-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.46
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613223) is 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCOc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)c1.

What is the InChIKey of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is RKNKQBJXJQWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2FN4O4/c1-5-41-18-8-9-19(24(14-18)40-4)27-35-25-26(36(27)15(2)3)30(20-10-6-16(31)12-22(20)34-29(30)39)37(28(25)38)23-13-17(32)7-11-21(23)33/h6-15H,5H2,1-4H3,(H,34,39).

What are the key properties of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 595.46 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).