5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C121H112Cl4F3N23O13 — CID 162261811

About 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-cyclopropyl-4-methoxypyrimidin-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 162261811) has the molecular formula C121H112Cl4F3N23O13 and a molecular weight of 2295.18 g/mol. Its IUPAC name is 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 162261811
• Molecular Formula: C121H112Cl4F3N23O13
• Molecular Weight: 2295.18 g/mol
• Exact Mass: 2291.75
• IUPAC Name: 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCN(C)c1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.COc1cc(OC(F)(F)F)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1nc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C31H32ClN7O3.C31H29ClN6O3.C30H24ClF3N4O4.C29H27ClN6O3/c1-8-37(6)30-33-15-20(27(36-30)42-7)26-35-24-25(38(26)16(2)3)31(21-12-9-17(4)13-22(21)34-29(31)41)39(28(24)40)23-14-19(32)11-10-18(23)5;1-15(2)37-25-24(35-27(37)20-14-33-26(18-8-9-18)36-28(20)41-5)29(39)38(23-13-19(32)10-7-17(23)4)31(25)21-11-6-16(3)12-22(21)34-30(31)40;1-15(2)37-25-24(36-26(37)20-10-9-19(14-23(20)41-4)42-30(32,33)34)27(39)38(18-7-5-6-17(31)13-18)29(25)21-11-8-16(3)12-22(21)35-28(29)40;1-14(2)35-24-23(34-25(35)19-13-31-17(5)32-26(19)39-6)27(37)36(22-12-18(30)9-8-16(22)4)29(24)20-10-7-15(3)11-21(20)33-28(29)38/h9-16H,8H2,1-7H3,(H,34,41);6-7,10-15,18H,8-9H2,1-5H3,(H,34,40);5-15H,1-4H3,(H,35,40);7-14H,1-6H3,(H,33,38)
• InChIKey: ZZIUUQSJILCHQH-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 395.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.18
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 162261811) is 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCN(C)c1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.COc1cc(OC(F)(F)F)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1nc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(C2CC2)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.

What is the InChIKey of 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is ZZIUUQSJILCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN7O3.C31H29ClN6O3.C30H24ClF3N4O4.C29H27ClN6O3/c1-8-37(6)30-33-15-20(27(36-30)42-7)26-35-24-25(38(26)16(2)3)31(21-12-9-17(4)13-22(21)34-29(31)41)39(28(24)40)23-14-19(32)11-10-18(23)5;1-15(2)37-25-24(35-27(37)20-14-33-26(18-8-9-18)36-28(20)41-5)29(39)38(23-13-19(32)10-7-17(23)4)31(25)21-11-6-16(3)12-22(21)34-30(31)40;1-15(2)37-25-24(36-26(37)20-10-9-19(14-23(20)41-4)42-30(32,33)34)27(39)38(18-7-5-6-17(31)13-18)29(25)21-11-8-16(3)12-22(21)35-28(29)40;1-14(2)35-24-23(34-25(35)19-13-31-17(5)32-26(19)39-6)27(37)36(22-12-18(30)9-8-16(22)4)29(24)20-10-7-15(3)11-21(20)33-28(29)38/h9-16H,8H2,1-7H3,(H,34,41);6-7,10-15,18H,8-9H2,1-5H3,(H,34,40);5-15H,1-4H3,(H,35,40);7-14H,1-6H3,(H,33,38).

What are the key properties of 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-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-cyclopropyl-4-methoxypyrimidin-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'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione has a molecular weight of 2295.18 g/mol, XLogP of 23.67, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(5-chloro-2-methylphenyl)-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;5'-(5-chloro-2-methylphenyl)-2'-[2-[ethyl(methyl)amino]-4-methoxypyrimidin-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'-(4-methoxy-2-methylpyrimidin-5-yl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(3-chlorophenyl)-2'-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is sourced from PubChem (CID 162261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).