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

C30H26Cl2N4O3 — CID 156656496

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

(3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 156656496) has the molecular formula C30H26Cl2N4O3 and a molecular weight of 561.47 g/mol. Its IUPAC name is (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 156656496
• Molecular Formula: C30H26Cl2N4O3
• Molecular Weight: 561.47 g/mol
• Exact Mass: 560.14
• IUPAC Name: (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCc1ccc(-c2nc3c(n2C(C)C)[C@@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cccc(Cl)c2)C3=O)c(OC)c1
• InChI: InChI=1S/C30H26Cl2N4O3/c1-5-17-9-11-21(24(13-17)39-4)27-34-25-26(35(27)16(2)3)30(22-12-10-19(32)15-23(22)33-29(30)38)36(28(25)37)20-8-6-7-18(31)14-20/h6-16H,5H2,1-4H3,(H,33,38)/t30-/m0/s1
• InChIKey: JYAGBGDWYMOIEU-PMERELPUSA-N
• XLogP: 6.86
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.47
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 156656496) is (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

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

The canonical SMILES for (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCc1ccc(-c2nc3c(n2C(C)C)[C@@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cccc(Cl)c2)C3=O)c(OC)c1.

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

The InChIKey is JYAGBGDWYMOIEU-PMERELPUSA-N. The full InChI is InChI=1S/C30H26Cl2N4O3/c1-5-17-9-11-21(24(13-17)39-4)27-34-25-26(35(27)16(2)3)30(22-12-10-19(32)15-23(22)33-29(30)38)36(28(25)37)20-8-6-7-18(31)14-20/h6-16H,5H2,1-4H3,(H,33,38)/t30-/m0/s1.

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

(3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 561.47 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-6-chloro-5'-(3-chlorophenyl)-2'-(4-ethyl-2-methoxyphenyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 156656496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).