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

C28H23Cl2N5O4 — CID 150556753

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

(3R)-6-chloro-5'-(3-chlorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 150556753) has the molecular formula C28H23Cl2N5O4 and a molecular weight of 564.43 g/mol. Its IUPAC name is (3R)-6-chloro-5'-(3-chlorophenyl)-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: (3R)-6-chloro-5'-(3-chlorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 150556753
• Molecular Formula: C28H23Cl2N5O4
• Molecular Weight: 564.43 g/mol
• Exact Mass: 563.11
• IUPAC Name: (3R)-6-chloro-5'-(3-chlorophenyl)-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)[C@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cccc(Cl)c2)C3=O)cn1
• InChI: InChI=1S/C28H23Cl2N5O4/c1-14(2)34-24-23(33-25(34)18-13-31-22(39-4)12-21(18)38-3)26(36)35(17-7-5-6-15(29)10-17)28(24)19-9-8-16(30)11-20(19)32-27(28)37/h5-14H,1-4H3,(H,32,37)/t28-/m1/s1
• InChIKey: IIZRJXPOVFXFAL-MUUNZHRXSA-N
• XLogP: 5.71
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.43
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-5'-(3-chlorophenyl)-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 (3R)-6-chloro-5'-(3-chlorophenyl)-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 150556753) is (3R)-6-chloro-5'-(3-chlorophenyl)-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 (3R)-6-chloro-5'-(3-chlorophenyl)-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 (3R)-6-chloro-5'-(3-chlorophenyl)-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)[C@]2(C(=O)Nc4cc(Cl)ccc42)N(c2cccc(Cl)c2)C3=O)cn1.

What is the InChIKey of (3R)-6-chloro-5'-(3-chlorophenyl)-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 IIZRJXPOVFXFAL-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H23Cl2N5O4/c1-14(2)34-24-23(33-25(34)18-13-31-22(39-4)12-21(18)38-3)26(36)35(17-7-5-6-15(29)10-17)28(24)19-9-8-16(30)11-20(19)32-27(28)37/h5-14H,1-4H3,(H,32,37)/t28-/m1/s1.

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

(3R)-6-chloro-5'-(3-chlorophenyl)-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 564.43 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-6-chloro-5'-(3-chlorophenyl)-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 150556753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).