5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

C120H109Cl4F5N22O15 — CID 159359099

About 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione

5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 159359099) has the molecular formula C120H109Cl4F5N22O15 and a molecular weight of 2336.13 g/mol. Its IUPAC name is 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione.

Molecular Properties

• Compound Name: 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• PubChem CID: 159359099
• Molecular Formula: C120H109Cl4F5N22O15
• Molecular Weight: 2336.13 g/mol
• Exact Mass: 2332.71
• IUPAC Name: 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
• SMILES: CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(F)cc(Cl)c2)C3=O)cn1.COc1cc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(OCC(F)(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O
• InChI: InChI=1S/C30H26ClF3N6O4.C30H28ClFN6O4.C30H27ClFN5O4.C30H28ClN5O3/c1-14(2)39-23-22(37-24(39)18-12-35-28(38-25(18)43-5)44-13-29(32,33)34)26(41)40(21-11-17(31)8-7-16(21)4)30(23)19-9-6-15(3)10-20(19)36-27(30)42;1-15(2)37-24-23(35-25(37)19-14-33-29(42-11-10-32)36-26(19)41-5)27(39)38(22-13-18(31)8-7-17(22)4)30(24)20-9-6-16(3)12-21(20)34-28(30)40;1-6-41-24-13-23(40-5)20(14-33-24)27-35-25-26(36(27)15(2)3)30(21-8-7-16(4)9-22(21)34-29(30)39)37(28(25)38)19-11-17(31)10-18(32)12-19;1-15(2)35-26-25(34-27(35)20-14-32-18(5)12-24(20)39-6)28(37)36(23-13-19(31)9-8-17(23)4)30(26)21-10-7-16(3)11-22(21)33-29(30)38/h6-12,14H,13H2,1-5H3,(H,36,42);6-9,12-15H,10-11H2,1-5H3,(H,34,40);7-15H,6H2,1-5H3,(H,34,39);7-15H,1-6H3,(H,33,38)
• InChIKey: LIHORSNSXPPURS-UHFFFAOYSA-N
• XLogP: 23.26
• TPSA: 410.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2336.13
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The IUPAC name of 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 159359099) is 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-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 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The canonical SMILES for 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione is CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(F)cc(Cl)c2)C3=O)cn1.COc1cc(C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(OCC(F)(F)F)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.COc1nc(OCCF)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cc(Cl)ccc1C)C2=O.

What is the InChIKey of 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

The InChIKey is LIHORSNSXPPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF3N6O4.C30H28ClFN6O4.C30H27ClFN5O4.C30H28ClN5O3/c1-14(2)39-23-22(37-24(39)18-12-35-28(38-25(18)43-5)44-13-29(32,33)34)26(41)40(21-11-17(31)8-7-16(21)4)30(23)19-9-6-15(3)10-20(19)36-27(30)42;1-15(2)37-24-23(35-25(37)19-14-33-29(42-11-10-32)36-26(19)41-5)27(39)38(22-13-18(31)8-7-17(22)4)30(24)20-9-6-16(3)12-21(20)34-28(30)40;1-6-41-24-13-23(40-5)20(14-33-24)27-35-25-26(36(27)15(2)3)30(21-8-7-16(4)9-22(21)34-29(30)39)37(28(25)38)19-11-17(31)10-18(32)12-19;1-15(2)35-26-25(34-27(35)20-14-32-18(5)12-24(20)39-6)28(37)36(23-13-19(31)9-8-17(23)4)30(26)21-10-7-16(3)11-22(21)33-29(30)38/h6-12,14H,13H2,1-5H3,(H,36,42);6-9,12-15H,10-11H2,1-5H3,(H,34,40);7-15H,6H2,1-5H3,(H,34,39);7-15H,1-6H3,(H,33,38).

What are the key properties of 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?

5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-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 2336.13 g/mol, XLogP of 23.26, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(3-chloro-5-fluorophenyl)-2'-(6-ethoxy-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'-[2-(2-fluoroethoxy)-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-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-methylphenyl)-2'-[4-methoxy-2-(2,2,2-trifluoroethoxy)pyrimidin-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 159359099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).