5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
C151H140Cl5F3N26O20 — CID 158096292
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
SMILESCCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)cn1.CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)cnc2C)C3=O)cn1.CCOc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)c1.CCOc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)n1.COc1cc(OC(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C31H28ClFN4O4.C31H30ClN5O4.C30H27ClFN5O4.C30H29ClN6O4.C29H26ClFN6O4/c1-6-41-19-9-10-20(25(15-19)40-5)28-35-26-27(36(28)16(2)3)31(21-11-7-17(4)13-23(21)34-30(31)39)37(29(26)38)24-14-18(32)8-12-22(24)33;1-16(2)36-27-26(35-28(36)21-15-33-25(41-17(3)4)14-24(21)40-6)29(38)37(20-9-7-8-19(32)13-20)31(27)22-11-10-18(5)12-23(22)34-30(31)39;1-6-41-24-13-23(40-5)18(14-33-24)27-35-25-26(36(27)15(2)3)30(19-9-7-16(4)11-21(19)34-29(30)39)37(28(25)38)22-12-17(31)8-10-20(22)32;1-7-41-24-12-23(40-6)19(14-33-24)27-35-25-26(36(27)15(2)3)30(20-9-8-16(4)10-21(20)34-29(30)39)37(28(25)38)22-11-18(31)13-32-17(22)5;1-6-41-28-32-13-17(25(35-28)40-5)24-34-22-23(36(24)14(2)3)29(18-9-7-15(4)11-20(18)33-27(29)39)37(26(22)38)21-12-16(30)8-10-19(21)31/h7-16H,6H2,1-5H3,(H,34,39);7-17H,1-6H3,(H,34,39);7-15H,6H2,1-5H3,(H,34,39);8-15H,7H2,1-6H3,(H,34,39);7-14H,6H2,1-5H3,(H,33,39)
InChIKeyFOSCMGISAQNCCI-UHFFFAOYSA-N
MW2873.20 g/mol
LogP29.27
Rot. Bonds30
About 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (PubChem CID 158096292) has the molecular formula C151H140Cl5F3N26O20 and a molecular weight of 2873.20 g/mol. Its IUPAC name is 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione |
|---|---|
| PubChem CID | 158096292 |
| Molecular Formula | C151H140Cl5F3N26O20 |
| Molecular Weight | 2873.20 g/mol |
| Exact Mass | 2868.91 |
| IUPAC Name | 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-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(Cl)ccc2F)C3=O)cn1.CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)cnc2C)C3=O)cn1.CCOc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)c1.CCOc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)n1.COc1cc(OC(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O |
| InChI | InChI=1S/C31H28ClFN4O4.C31H30ClN5O4.C30H27ClFN5O4.C30H29ClN6O4.C29H26ClFN6O4/c1-6-41-19-9-10-20(25(15-19)40-5)28-35-26-27(36(28)16(2)3)31(21-11-7-17(4)13-23(21)34-30(31)39)37(29(26)38)24-14-18(32)8-12-22(24)33;1-16(2)36-27-26(35-28(36)21-15-33-25(41-17(3)4)14-24(21)40-6)29(38)37(20-9-7-8-19(32)13-20)31(27)22-11-10-18(5)12-23(22)34-30(31)39;1-6-41-24-13-23(40-5)18(14-33-24)27-35-25-26(36(27)15(2)3)30(19-9-7-16(4)11-21(19)34-29(30)39)37(28(25)38)22-12-17(31)8-10-20(22)32;1-7-41-24-12-23(40-6)19(14-33-24)27-35-25-26(36(27)15(2)3)30(20-9-8-16(4)10-21(20)34-29(30)39)37(28(25)38)22-11-18(31)13-32-17(22)5;1-6-41-28-32-13-17(25(35-28)40-5)24-34-22-23(36(24)14(2)3)29(18-9-7-15(4)11-20(18)33-27(29)39)37(26(22)38)21-12-16(30)8-10-19(21)31/h7-16H,6H2,1-5H3,(H,34,39);7-17H,1-6H3,(H,34,39);7-15H,6H2,1-5H3,(H,34,39);8-15H,7H2,1-6H3,(H,34,39);7-14H,6H2,1-5H3,(H,33,39) |
| InChIKey | FOSCMGISAQNCCI-UHFFFAOYSA-N |
| XLogP | 29.27 |
| TPSA | 505.79 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 205 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2873.20 |
| LogP ≤ 5 | 29.27 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione (CID 158096292) is 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-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(Cl)ccc2F)C3=O)cn1.CCOc1cc(OC)c(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)cnc2C)C3=O)cn1.CCOc1ccc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)c1.CCOc1ncc(-c2nc3c(n2C(C)C)C2(C(=O)Nc4cc(C)ccc42)N(c2cc(Cl)ccc2F)C3=O)c(OC)n1.COc1cc(OC(C)C)ncc1-c1nc2c(n1C(C)C)C1(C(=O)Nc3cc(C)ccc31)N(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
The InChIKey is FOSCMGISAQNCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClFN4O4.C31H30ClN5O4.C30H27ClFN5O4.C30H29ClN6O4.C29H26ClFN6O4/c1-6-41-19-9-10-20(25(15-19)40-5)28-35-26-27(36(28)16(2)3)31(21-11-7-17(4)13-23(21)34-30(31)39)37(29(26)38)24-14-18(32)8-12-22(24)33;1-16(2)36-27-26(35-28(36)21-15-33-25(41-17(3)4)14-24(21)40-6)29(38)37(20-9-7-8-19(32)13-20)31(27)22-11-10-18(5)12-23(22)34-30(31)39;1-6-41-24-13-23(40-5)18(14-33-24)27-35-25-26(36(27)15(2)3)30(19-9-7-16(4)11-21(19)34-29(30)39)37(28(25)38)22-12-17(31)8-10-20(22)32;1-7-41-24-12-23(40-6)19(14-33-24)27-35-25-26(36(27)15(2)3)30(20-9-8-16(4)10-21(20)34-29(30)39)37(28(25)38)22-11-18(31)13-32-17(22)5;1-6-41-28-32-13-17(25(35-28)40-5)24-34-22-23(36(24)14(2)3)29(18-9-7-15(4)11-20(18)33-27(29)39)37(26(22)38)21-12-16(30)8-10-19(21)31/h7-16H,6H2,1-5H3,(H,34,39);7-17H,1-6H3,(H,34,39);7-15H,6H2,1-5H3,(H,34,39);8-15H,7H2,1-6H3,(H,34,39);7-14H,6H2,1-5H3,(H,33,39).
What are the key properties of 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-3-pyridinyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione?
5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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 2873.20 g/mol, XLogP of 29.27, 30 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(5-chloro-2-fluorophenyl)-2'-(4-ethoxy-2-methoxyphenyl)-6-methyl-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione;5'-(5-chloro-2-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-fluorophenyl)-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-methyl-3-pyridinyl)-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'-(3-chlorophenyl)-2'-(4-methoxy-6-propan-2-yloxy-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 158096292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158096292 — identifiers, structure, computed properties (public domain)
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