Common name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
SMILES
C(C)(C)N(c1ncc(nc1)c2ccccc2)C
Common name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
SMILES
C(C)(C)N(c1ncc(nc1)c2ccccc2)C
INCHI
InChI=1S/C14H17N3/c1-11(2)17(3)14-10-15-13(9-16-14)12-7-5-4-6-8-12/h4-11H,1-3H3
FORMULA
C14H17N3
Common name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-5-phenyl-pyrazin-2-amine
Molecular weight
227.305
clogP
2.573
clogS
-3.664
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
29.02
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01831 | Selexipag |
|
Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Selexipag is indicated for the treatment of pulmonary arterial hypertension (PAH) to delay disease progression and reduce risk of hospitalization. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dfn_ligand_1_0.mol2 | 4dfn | 0.769231 | -7.33 | c1(ccccc1)c1ncc(nc1)N | 13 |
| 4dfl_ligand_1_0.mol2 | 4dfl | 0.769231 | -7.22 | c1(ccccc1)c1cnc(cn1)N | 13 |
| 2xk8_ligand_1_2.mol2 | 2xk8 | 0.769231 | -7.20 | c1(ccccc1)c1ncc(nc1)N | 13 |
100 ,
11
