IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
SMILES
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
Compound class
Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists;
Therapeutic area
For the treatment of hypertension.
Common name
Forasartan
IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
SMILES
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
INCHI
InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)
FORMULA
C23H28N8
Common name
Forasartan
IUPAC name
5-[(dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine
Molecular weight
416.522
clogP
4.957
clogS
-7.765
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
98.06
Number of Rings
4
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00261 | 1-methyl-1,2,4-triazole |
|
n1(ncnc1)C | 0.0038 |
| FDBF02946 | 3-ethyl-1H-1,2,4-triazole |
|
[nH]1nc(nc1)CC | 0.0003 |
| FDBF02948 | 3-(1,2,4-triazol-1-ylmethyl)pyridine |
|
n1(ncnc1)Cc2cnccc2 | 0.0003 |
| FDBF02949 | 5-ethyl-1-methyl-1,2,4-triazole |
|
n1(ncnc1CC)C | 0.0003 |
| FDBF02951 | 3-ethyl-1-methyl-1,2,4-triazole |
|
n1(nc(nc1)CC)C | 0.0003 |
| FDBF02956 | 3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(ncnc1C)Cc2cnccc2 | 0.0003 |
| FDBF02960 | 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(nc(nc1C)C)Cc2cnccc2 | 0.0003 |
| FDBF02963 | 3-[(5-ethyl-1,2,4-triazol-1-yl)methyl]pyridine |
|
n1(ncnc1CC)Cc2cnccc2 | 0.0003 |
| FDBF02965 | 3-butyl-1-methyl-1,2,4-triazole |
|
n1(nc(nc1)CCCC)C | 0.0003 |
| FDBF02966 | 5-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine |
|
n1(nc(nc1)C)Cc2cnc(cc2)c3ccccc3 | 0.0003 |
40 ,
5
