6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C28H25Cl2N7O3 — CID 142613231

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

6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 142613231) has the molecular formula C28H25Cl2N7O3 and a molecular weight of 578.46 g/mol. Its IUPAC name is 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 142613231
• Molecular Formula: C28H25Cl2N7O3
• Molecular Weight: 578.46 g/mol
• Exact Mass: 577.14
• IUPAC Name: 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O
• InChI: InChI=1S/C28H25Cl2N7O3/c1-14(2)36-22-21(33-23(36)18-13-31-27(35(3)4)34-24(18)40-5)25(38)37(17-8-6-7-15(29)11-17)28(22)19-10-9-16(30)12-20(19)32-26(28)39/h6-14H,1-5H3,(H,32,39)
• InChIKey: HACYSHHJZITCKU-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.46
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 142613231) is 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-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-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O.

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

The InChIKey is HACYSHHJZITCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N7O3/c1-14(2)36-22-21(33-23(36)18-13-31-27(35(3)4)34-24(18)40-5)25(38)37(17-8-6-7-15(29)11-17)28(22)19-10-9-16(30)12-20(19)32-26(28)39/h6-14H,1-5H3,(H,32,39).

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

6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 578.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5'-(3-chlorophenyl)-2'-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 142613231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).