7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
C147H179Br2N31O24 — CID 157415601
Data last refreshed: (MolForge compound catalog, from PubChem)
About 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione (PubChem CID 157415601) has the molecular formula C147H179Br2N31O24 and a molecular weight of 2924.05 g/mol. Its IUPAC name is 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione.
Molecular Properties
| Compound Name | 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione |
|---|---|
| PubChem CID | 157415601 |
| Molecular Formula | C147H179Br2N31O24 |
| Molecular Weight | 2924.05 g/mol |
| Exact Mass | 2920.21 |
| IUPAC Name | 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione |
| SMILES | CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3c(Br)cc(Br)c4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc4ccccc4cn3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4nccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccnc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccncc3)nc21 |
| InChI | InChI=1S/C26H29Br2N5O4.2C26H31N5O4.C25H30N6O4.2C22H29N5O4/c1-15(2)13-33-24-22(25(35)32(3)26(33)36)30-20(7-5-4-6-10-34)21(31-24)14-37-23-16-8-9-29-12-17(16)18(27)11-19(23)28;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-12-32)21(29-24)16-35-22-13-18-9-6-7-10-19(18)14-27-22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-19(11-5-4-6-14-32)20(29-24)16-35-21-12-7-9-18-10-8-13-27-22(18)21;1-16(2)14-31-23-22(24(33)30(3)25(31)34)28-17(8-5-4-6-13-32)19(29-23)15-35-20-10-7-9-18-21(20)27-12-11-26-18;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(9-5-4-6-11-28)18(25-20)14-31-16-8-7-10-23-12-16;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(7-5-4-6-12-28)18(25-20)14-31-16-8-10-23-11-9-16/h8-9,11-12,15,34H,4-7,10,13-14H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-10,12-13,17,32H,4-6,11,14-16H2,1-3H3;7,9-12,16,32H,4-6,8,13-15H2,1-3H3;7-8,10,12,15,28H,4-6,9,11,13-14H2,1-3H3;8-11,15,28H,4-7,12-14H2,1-3H3 |
| InChIKey | BOUQBNQCCIDNPV-UHFFFAOYSA-N |
| XLogP | 16.48 |
| TPSA | 685.67 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 204 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2924.05 |
| LogP ≤ 5 | 16.48 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 55 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 157415601 — identifiers, structure, computed properties (public domain)
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