5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C119H105Cl4F4N23O15 — CID 160574444

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

5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 160574444) has the molecular formula C119H105Cl4F4N23O15 and a molecular weight of 2315.10 g/mol. Its IUPAC name is 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 160574444
• Molecular Formula: C119H105Cl4F4N23O15
• Molecular Weight: 2315.10 g/mol
• Exact Mass: 2311.69
• IUPAC Name: 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: COc1cc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1cc(OC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.[C-]#[N+]c1ccc(Cl)cc1N1C(=O)c2nc(-c3cnc(OC)nc3OC)n(C(C)C)c2C12C(=O)Nc1cc(C)ccc12
• InChI: InChI=1S/C31H28ClF2N5O4.C30H26ClF2N5O4.C29H24ClN7O4.C29H27ClN6O3/c1-15(2)38-27-26(37-28(38)19-13-35-25(12-23(19)42-5)43-14-24(33)34)29(40)39(22-11-18(32)8-7-17(22)4)31(27)20-9-6-16(3)10-21(20)36-30(31)41;1-14(2)37-25-24(36-26(37)18-13-34-23(42-29(32)33)12-22(18)41-5)27(39)38(21-11-17(31)8-7-16(21)4)30(25)19-9-6-15(3)10-20(19)35-28(30)40;1-14(2)36-23-22(34-24(36)17-13-32-28(41-6)35-25(17)40-5)26(38)37(21-12-16(30)8-10-19(21)31-4)29(23)18-9-7-15(3)11-20(18)33-27(29)39;1-14(2)35-25-24(34-26(35)19-13-31-16(4)10-23(19)39-6)27(37)36(22-11-18(30)12-32-17(22)5)29(25)20-8-7-15(3)9-21(20)33-28(29)38/h6-13,15,24H,14H2,1-5H3,(H,36,41);6-14,29H,1-5H3,(H,35,40);7-14H,1-3,5-6H3,(H,33,39);7-14H,1-6H3,(H,33,38)
• InChIKey: RAYRRFBRMZQFJB-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 415.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.10
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 160574444) is 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-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'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is COc1cc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)cnc1C)C2=O.COc1cc(OC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1cc(OCC(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.[C-]#[N+]c1ccc(Cl)cc1N1C(=O)c2nc(-c3cnc(OC)nc3OC)n(C(C)C)c2C12C(=O)Nc1cc(C)ccc12.

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

The InChIKey is RAYRRFBRMZQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF2N5O4.C30H26ClF2N5O4.C29H24ClN7O4.C29H27ClN6O3/c1-15(2)38-27-26(37-28(38)19-13-35-25(12-23(19)42-5)43-14-24(33)34)29(40)39(22-11-18(32)8-7-17(22)4)31(27)20-9-6-16(3)10-21(20)36-30(31)41;1-14(2)37-25-24(36-26(37)18-13-34-23(42-29(32)33)12-22(18)41-5)27(39)38(21-11-17(31)8-7-16(21)4)30(25)19-9-6-15(3)10-20(19)35-28(30)40;1-14(2)36-23-22(34-24(36)17-13-32-28(41-6)35-25(17)40-5)26(38)37(21-12-16(30)8-10-19(21)31-4)29(23)18-9-7-15(3)11-20(18)33-27(29)39;1-14(2)35-25-24(34-26(35)19-13-31-16(4)10-23(19)39-6)27(37)36(22-11-18(30)12-32-17(22)5)29(25)20-8-7-15(3)9-21(20)33-28(29)38/h6-13,15,24H,14H2,1-5H3,(H,36,41);6-14,29H,1-5H3,(H,35,40);7-14H,1-3,5-6H3,(H,33,39);7-14H,1-6H3,(H,33,38).

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

5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 2315.10 g/mol, XLogP of 23.24, 22 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(5-chloro-2-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'-(5-chloro-2-methylphenyl)-2'-[6-(2,2-difluoroethoxy)-4-methoxy-3-pyridinyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-methylphenyl)-2'-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-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'-(4-methoxy-6-methyl-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 160574444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).