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

C29H24Cl2FN5O4 — CID 142613086

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

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613086) has the molecular formula C29H24Cl2FN5O4 and a molecular weight of 596.45 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-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'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613086
• Molecular Formula: C29H24Cl2FN5O4
• Molecular Weight: 596.45 g/mol
• Exact Mass: 595.12
• IUPAC Name: 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2F)C3=O)cn1
• InChI: InChI=1S/C29H24Cl2FN5O4/c1-5-41-23-12-22(40-4)17(13-33-23)26-35-24-25(36(26)14(2)3)29(18-8-6-15(30)10-20(18)34-28(29)39)37(27(24)38)21-11-16(31)7-9-19(21)32/h6-14H,5H2,1-4H3,(H,34,39)
• InChIKey: UTDQSNRVOBJJJS-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.45
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-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'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613086) is 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-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'-(6-ethoxy-4-methoxy-3-pyridinyl)-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'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(Cl)ccc2F)C3=O)cn1.

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

The InChIKey is UTDQSNRVOBJJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2FN5O4/c1-5-41-23-12-22(40-4)17(13-33-23)26-35-24-25(36(26)14(2)3)29(18-8-6-15(30)10-20(18)34-28(29)39)37(27(24)38)21-11-16(31)7-9-19(21)32/h6-14H,5H2,1-4H3,(H,34,39).

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

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 596.45 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-(6-ethoxy-4-methoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).