About N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine
N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 59604122) has the molecular formula C26H24FN7O2
and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine.
Molecular Properties
| Compound Name | N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine |
|---|
| PubChem CID | 59604122 |
|---|
| Molecular Formula | C26H24FN7O2 |
|---|
| Molecular Weight | 485.52 g/mol |
|---|
| Exact Mass | 485.20 |
|---|
| IUPAC Name | N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine |
|---|
| SMILES | COCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1 |
|---|
| InChI | InChI=1S/C26H24FN7O2/c1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27/h3-14H,15-17H2,1-2H3 |
|---|
| InChIKey | LIKPDCYNWPJPRT-UHFFFAOYSA-N |
|---|
| XLogP | 4.26 |
|---|
| TPSA | 94.99 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 485.52 |
| LogP ≤ 5 | 4.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine 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 N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine (CID 59604122) is N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is LIKPDCYNWPJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-33(15-16-35-2)17-18-7-9-20(10-8-18)25-29-26(36-31-25)23-24(19-11-13-28-14-12-19)34(32-30-23)22-6-4-3-5-21(22)27/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine?
N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 485.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 59604122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).