| Pubchem ID | 135334307 |
|---|---|
| CAS | 27177-85-1 |
| IUPAC name | 3-[5-(2-fluoropyridin-4-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-2H-1,3-oxazole-4-carboxamide |
| Synonyms | - |
| Categories | Not Categorized |
| SMILES | CC1=NC=CC(=C1)C2N(C(=CO2)C(=O)N)C3=CC4=C(N=C3C5=CC(=NC=C5)F)N=C(S4)N6CCOCC6 |
| InCheykey | InChI=1S/C25H22FN7O3S/c1-14-10-16(3-4-28-14)24-33(18(13-36-24)22(27)34)17-12-19-23(30-21(17)15-2-5-29-20(26)11-15)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13,24H,6-9H2,1H3,(H2,27,34) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 519.555 | 1 | 11 | 5 | 148.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |