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

C28H22Cl2FN5O4 — CID 142613183

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

6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613183) has the molecular formula C28H22Cl2FN5O4 and a molecular weight of 582.42 g/mol. Its IUPAC name is 6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-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'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613183
• Molecular Formula: C28H22Cl2FN5O4
• Molecular Weight: 582.42 g/mol
• Exact Mass: 581.10
• IUPAC Name: 6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(F)cc(Cl)c2)C3=O)cn1
• InChI: InChI=1S/C28H22Cl2FN5O4/c1-13(2)35-24-23(34-25(35)18-12-32-22(40-4)11-21(18)39-3)26(37)36(17-8-15(30)7-16(31)10-17)28(24)19-6-5-14(29)9-20(19)33-27(28)38/h5-13H,1-4H3,(H,33,38)
• InChIKey: SWVLHPPICUXVCR-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.42
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-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'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613183) is 6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-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'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-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'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(Cl)ccc42)N(c2cc(F)cc(Cl)c2)C3=O)cn1.

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

The InChIKey is SWVLHPPICUXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2FN5O4/c1-13(2)35-24-23(34-25(35)18-12-32-22(40-4)11-21(18)39-3)26(37)36(17-8-15(30)7-16(31)10-17)28(24)19-6-5-14(29)9-20(19)33-27(28)38/h5-13H,1-4H3,(H,33,38).

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

6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 582.42 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(3-chloro-5-fluorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).