5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C151H136Cl6N22O19 — CID 160841309

About 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 160841309) has the molecular formula C151H136Cl6N22O19 and a molecular weight of 2775.60 g/mol. Its IUPAC name is 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 160841309
• Molecular Formula: C151H136Cl6N22O19
• Molecular Weight: 2775.60 g/mol
• Exact Mass: 2770.85
• IUPAC Name: 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-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(c2ccc(C(C)=O)c(Cl)c2)C3=O)cn1.COc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)cc1.COc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)cnc2C)C3=O)c(OC)c1.COc1ccc(C)cc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1ccc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)cc1Cl
• InChI: InChI=1S/C31H29ClN4O3.C30H25Cl2N5O5.C30H28ClN5O4.C30H27ClN4O4.C30H27ClN4O3/c1-16(2)35-27-26(34-28(35)21-13-17(3)8-12-25(21)39-6)29(37)36(24-15-20(32)10-9-19(24)5)31(27)22-11-7-18(4)14-23(22)33-30(31)38;1-14(2)36-26-25(35-27(36)19-13-33-24(42-5)12-23(19)41-4)28(39)37(17-7-8-18(15(3)38)21(32)11-17)30(26)20-9-6-16(31)10-22(20)34-29(30)40;1-15(2)35-26-25(34-27(35)20-9-8-19(39-5)13-24(20)40-6)28(37)36(23-12-18(31)14-32-17(23)4)30(26)21-10-7-16(3)11-22(21)33-29(30)38;1-16(2)34-26-25(33-27(34)19-8-6-7-9-23(19)38-4)28(36)35(18-11-13-24(39-5)21(31)15-18)30(26)20-12-10-17(3)14-22(20)32-29(30)37;1-16(2)34-26-25(33-27(34)19-8-11-21(38-5)12-9-19)28(36)35(24-15-20(31)10-7-18(24)4)30(26)22-13-6-17(3)14-23(22)32-29(30)37/h7-16H,1-6H3,(H,33,38);6-14H,1-5H3,(H,34,40);7-15H,1-6H3,(H,33,38);6-16H,1-5H3,(H,32,37);6-16H,1-5H3,(H,32,37)
• InChIKey: SIBKTRKOJWAMLT-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 452.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2775.60
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 160841309) is 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-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(c2ccc(C(C)=O)c(Cl)c2)C3=O)cn1.COc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)cc1.COc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)cnc2C)C3=O)c(OC)c1.COc1ccc(C)cc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1ccc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)cc1Cl.

What is the InChIKey of 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is SIBKTRKOJWAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN4O3.C30H25Cl2N5O5.C30H28ClN5O4.C30H27ClN4O4.C30H27ClN4O3/c1-16(2)35-27-26(34-28(35)21-13-17(3)8-12-25(21)39-6)29(37)36(24-15-20(32)10-9-19(24)5)31(27)22-11-7-18(4)14-23(22)33-30(31)38;1-14(2)36-26-25(35-27(36)19-13-33-24(42-5)12-23(19)41-4)28(39)37(17-7-8-18(15(3)38)21(32)11-17)30(26)20-9-6-16(31)10-22(20)34-29(30)40;1-15(2)35-26-25(34-27(35)20-9-8-19(39-5)13-24(20)40-6)28(37)36(23-12-18(31)14-32-17(23)4)30(26)21-10-7-16(3)11-22(21)33-29(30)38;1-16(2)34-26-25(33-27(34)19-8-6-7-9-23(19)38-4)28(36)35(18-11-13-24(39-5)21(31)15-18)30(26)20-12-10-17(3)14-22(20)32-29(30)37;1-16(2)34-26-25(33-27(34)19-8-11-21(38-5)12-9-19)28(36)35(24-15-20(31)10-7-18(24)4)30(26)22-13-6-17(3)14-23(22)32-29(30)37/h7-16H,1-6H3,(H,33,38);6-14H,1-5H3,(H,34,40);7-15H,1-6H3,(H,33,38);6-16H,1-5H3,(H,32,37);6-16H,1-5H3,(H,32,37).

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

5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 2775.60 g/mol, XLogP of 30.38, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(4-acetyl-3-chlorophenyl)-6-chloro-2'-(4,6-dimethoxy-3-pyridinyl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(2-methoxy-5-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-(4-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methyl-3-pyridinyl)-2'-(2,4-dimethoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 160841309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).