About [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine
[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine (PubChem CID 144895313) has the molecular formula C33H38N4O5S
and a molecular weight of 602.76 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine.
Molecular Properties
| Compound Name | [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine |
|---|
| PubChem CID | 144895313 |
|---|
| Molecular Formula | C33H38N4O5S |
|---|
| Molecular Weight | 602.76 g/mol |
|---|
| Exact Mass | 602.26 |
|---|
| IUPAC Name | [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine |
|---|
| SMILES | CO.COc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCN(C)C.CSc1ccccn1 |
|---|
| InChI | InChI=1S/C26H27N3O4.C6H7NS.CH4O/c1-28(2)10-11-33-25-13-16-12-21(27-20(16)14-24(25)32-3)26(31)29-9-8-18-17-6-4-5-7-19(17)23(30)15-22(18)29;1-8-6-4-2-3-5-7-6;1-2/h4-7,12-15,27,30H,8-11H2,1-3H3;2-5H,1H3;2H,1H3 |
|---|
| InChIKey | HHZAEVQQUZKXIK-UHFFFAOYSA-N |
|---|
| XLogP | 5.59 |
|---|
| TPSA | 111.15 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 43 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 602.76 |
| LogP ≤ 5 | 5.59 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?
The IUPAC name of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine (CID 144895313) is [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine.
What is the SMILES notation for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?
The canonical SMILES for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine is CO.COc1cc2[nH]c(C(=O)N3CCc4c3cc(O)c3ccccc43)cc2cc1OCCN(C)C.CSc1ccccn1.
What is the InChIKey of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?
The InChIKey is HHZAEVQQUZKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4.C6H7NS.CH4O/c1-28(2)10-11-33-25-13-16-12-21(27-20(16)14-24(25)32-3)26(31)29-9-8-18-17-6-4-5-7-19(17)23(30)15-22(18)29;1-8-6-4-2-3-5-7-6;1-2/h4-7,12-15,27,30H,8-11H2,1-3H3;2-5H,1H3;2H,1H3.
What are the key properties of [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine?
[5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine has a molecular weight of 602.76 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethoxy]-6-methoxy-1H-indol-2-yl]-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)methanone;methanol;2-methylsulfanylpyridine is sourced from PubChem (CID 144895313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).