2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C117H103Cl4N27O16 — CID 157226565

About 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 157226565) has the molecular formula C117H103Cl4N27O16 and a molecular weight of 2285.10 g/mol. Its IUPAC name is 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 157226565
• Molecular Formula: C117H103Cl4N27O16
• Molecular Weight: 2285.10 g/mol
• Exact Mass: 2281.68
• IUPAC Name: 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(C#N)c(Cl)c2)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(OC)c(Cl)c2)C3=O)c(OC)n1.[C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)c1
• InChI: InChI=1S/C30H28ClN7O3.2C29H24ClN7O4.C29H27ClN6O5/c1-14(2)37-24-23(35-26(37)19-13-33-25(17-7-8-17)36-27(19)41-5)28(39)38(22-11-18(31)12-32-16(22)4)30(24)20-9-6-15(3)10-21(20)34-29(30)40;1-14(2)36-23-22(34-24(36)19-13-32-28(41-6)35-25(19)40-5)26(38)37(18-11-16(30)10-17(12-18)31-4)29(23)20-8-7-15(3)9-21(20)33-27(29)39;1-14(2)36-23-22(34-24(36)18-13-32-28(41-5)35-25(18)40-4)26(38)37(17-8-7-16(12-31)20(30)11-17)29(23)19-9-6-15(3)10-21(19)33-27(29)39;1-14(2)35-23-22(33-24(35)17-13-31-28(41-6)34-25(17)40-5)26(37)36(16-8-10-21(39-4)19(30)12-16)29(23)18-9-7-15(3)11-20(18)32-27(29)38/h6,9-14,17H,7-8H2,1-5H3,(H,34,40);7-14H,1-3,5-6H3,(H,33,39);6-11,13-14H,1-5H3,(H,33,39);7-14H,1-6H3,(H,32,38)
• InChIKey: ATPJYGGHFLCIPK-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 486.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.10
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 157226565) is 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

What is the SMILES notation for 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(C#N)c(Cl)c2)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2ccc(OC)c(Cl)c2)C3=O)c(OC)n1.[C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3C23C(=O)Nc2cc(C)ccc23)c1.

What is the InChIKey of 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is ATPJYGGHFLCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN7O3.2C29H24ClN7O4.C29H27ClN6O5/c1-14(2)37-24-23(35-26(37)19-13-33-25(17-7-8-17)36-27(19)41-5)28(39)38(22-11-18(31)12-32-16(22)4)30(24)20-9-6-15(3)10-21(20)34-29(30)40;1-14(2)36-23-22(34-24(36)19-13-32-28(41-6)35-25(19)40-5)26(38)37(18-11-16(30)10-17(12-18)31-4)29(23)20-8-7-15(3)9-21(20)33-27(29)39;1-14(2)36-23-22(34-24(36)18-13-32-28(41-5)35-25(18)40-4)26(38)37(17-8-7-16(12-31)20(30)11-17)29(23)19-9-6-15(3)10-21(19)33-27(29)39;1-14(2)35-23-22(33-24(35)17-13-31-28(41-6)34-25(17)40-5)26(37)36(16-8-10-21(39-4)19(30)12-16)29(23)18-9-7-15(3)11-20(18)32-27(29)38/h6,9-14,17H,7-8H2,1-5H3,(H,34,40);7-14H,1-3,5-6H3,(H,33,39);6-11,13-14H,1-5H3,(H,33,39);7-14H,1-6H3,(H,32,38).

What are the key properties of 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 2285.10 g/mol, XLogP of 20.03, 21 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-5'-yl]benzonitrile;5'-(3-chloro-5-isocyanophenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chloro-4-methoxyphenyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-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-cyclopropyl-4-methoxypyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 157226565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).