5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile

C121H111Cl4N21O14 — CID 157373747

About 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile

5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile (PubChem CID 157373747) has the molecular formula C121H111Cl4N21O14 and a molecular weight of 2225.16 g/mol. Its IUPAC name is 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile.

Molecular Properties

• Compound Name: 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile
• PubChem CID: 157373747
• Molecular Formula: C121H111Cl4N21O14
• Molecular Weight: 2225.16 g/mol
• Exact Mass: 2221.74
• IUPAC Name: 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile
• SMILES: CCOc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.COc1cc(C#N)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1cc(C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1nc(OC(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C31H31ClN6O4.C30H29ClN6O4.C30H24ClN5O3.C30H27ClN4O3/c1-15(2)37-25-24(35-26(37)20-14-33-30(42-16(3)4)36-27(20)41-7)28(39)38(23-13-19(32)10-9-18(23)6)31(25)21-11-8-17(5)12-22(21)34-29(31)40;1-7-41-29-32-14-19(26(35-29)40-6)25-34-23-24(36(25)15(2)3)30(20-11-8-16(4)12-21(20)33-28(30)39)37(27(23)38)22-13-18(31)10-9-17(22)5;1-16(2)35-26-25(34-27(35)21-10-9-18(15-32)13-24(21)39-4)28(37)36(20-7-5-6-19(31)14-20)30(26)22-11-8-17(3)12-23(22)33-29(30)38;1-16(2)34-26-25(33-27(34)21-11-9-18(4)14-24(21)38-5)28(36)35(20-8-6-7-19(31)15-20)30(26)22-12-10-17(3)13-23(22)32-29(30)37/h8-16H,1-7H3,(H,34,40);8-15H,7H2,1-6H3,(H,33,39);5-14,16H,1-4H3,(H,33,38);6-16H,1-5H3,(H,32,37)
• InChIKey: BKBNCNYIAGNEGD-UHFFFAOYSA-N
• XLogP: 23.39
• TPSA: 399.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.16
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile?

The IUPAC name of 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile (CID 157373747) is 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile.

What is the SMILES notation for 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile?

The canonical SMILES for 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile is CCOc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.COc1cc(C#N)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1cc(C)ccc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.COc1nc(OC(C)C)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-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile?

The InChIKey is BKBNCNYIAGNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN6O4.C30H29ClN6O4.C30H24ClN5O3.C30H27ClN4O3/c1-15(2)37-25-24(35-26(37)20-14-33-30(42-16(3)4)36-27(20)41-7)28(39)38(23-13-19(32)10-9-18(23)6)31(25)21-11-8-17(5)12-22(21)34-29(31)40;1-7-41-29-32-14-19(26(35-29)40-6)25-34-23-24(36(25)15(2)3)30(20-11-8-16(4)12-21(20)33-28(30)39)37(27(23)38)22-13-18(31)10-9-17(22)5;1-16(2)35-26-25(34-27(35)21-10-9-18(15-32)13-24(21)39-4)28(37)36(20-7-5-6-19(31)14-20)30(26)22-11-8-17(3)12-23(22)33-29(30)38;1-16(2)34-26-25(33-27(34)21-11-9-18(4)14-24(21)38-5)28(36)35(20-8-6-7-19(31)15-20)30(26)22-12-10-17(3)13-23(22)32-29(30)37/h8-16H,1-7H3,(H,34,40);8-15H,7H2,1-6H3,(H,33,39);5-14,16H,1-4H3,(H,33,38);6-16H,1-5H3,(H,32,37).

What are the key properties of 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile?

5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile has a molecular weight of 2225.16 g/mol, XLogP of 23.39, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(5-chloro-2-methylphenyl)-2'-(2-ethoxy-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-propan-2-yloxypyrimidin-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-methylphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;4-[5'-(3-chlorophenyl)-6-methyl-2,6'-dioxo-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2'-yl]-3-methoxybenzonitrile is sourced from PubChem (CID 157373747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).