About [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone
[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone (PubChem CID 70257557) has the molecular formula C33H36FN3O2
and a molecular weight of 525.67 g/mol. Its IUPAC name is [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone.
Molecular Properties
| Compound Name | [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone |
|---|
| PubChem CID | 70257557 |
|---|
| Molecular Formula | C33H36FN3O2 |
|---|
| Molecular Weight | 525.67 g/mol |
|---|
| Exact Mass | 525.28 |
|---|
| IUPAC Name | [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone |
|---|
| SMILES | Cc1cc2cccc(C(=O)N3CC(CN4CCC(c5ccc(F)cc5)CC4)C(C(O)c4ccccc4)C3)c2[nH]1 |
|---|
| InChI | InChI=1S/C33H36FN3O2/c1-22-18-26-8-5-9-29(31(26)35-22)33(39)37-20-27(30(21-37)32(38)25-6-3-2-4-7-25)19-36-16-14-24(15-17-36)23-10-12-28(34)13-11-23/h2-13,18,24,27,30,32,35,38H,14-17,19-21H2,1H3 |
|---|
| InChIKey | SJFARKBUVBOWIJ-UHFFFAOYSA-N |
|---|
| XLogP | 5.92 |
|---|
| TPSA | 59.57 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 525.67 |
| LogP ≤ 5 | 5.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone 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 [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone?
The IUPAC name of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone (CID 70257557) is [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone.
What is the SMILES notation for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone?
The canonical SMILES for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone is Cc1cc2cccc(C(=O)N3CC(CN4CCC(c5ccc(F)cc5)CC4)C(C(O)c4ccccc4)C3)c2[nH]1.
What is the InChIKey of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone?
The InChIKey is SJFARKBUVBOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN3O2/c1-22-18-26-8-5-9-29(31(26)35-22)33(39)37-20-27(30(21-37)32(38)25-6-3-2-4-7-25)19-36-16-14-24(15-17-36)23-10-12-28(34)13-11-23/h2-13,18,24,27,30,32,35,38H,14-17,19-21H2,1H3.
What are the key properties of [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone?
[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone has a molecular weight of 525.67 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-7-yl)methanone is sourced from PubChem (CID 70257557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).