| Drug Name |
US9006244, E1
|
| Synonyms |
CHEMBL3672843; SCHEMBL15273081; SEQLXXRHDQNPMX-UHFFFAOYSA-N; US9006244, E1; 1-isopropyl-7-(methylsulfonyl)-2-(4-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazine |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
439.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.9 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C19H20F3N5O2S
- IUPAC Name
7-methylsulfonyl-1-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole - Canonical SMILES
-
CC(C)C1C2=NC3=C(N2CCN1C4=NC=CC(=N4)C(F)(F)F)C=C(C=C3)S(=O)(=O)C
- InChI
-
InChI=1S/C19H20F3N5O2S/c1-11(2)16-17-24-13-5-4-12(30(3,28)29)10-14(13)26(17)8-9-27(16)18-23-7-6-15(25-18)19(20,21)22/h4-7,10-11,16H,8-9H2,1-3H3
- InChIKey
-
SEQLXXRHDQNPMX-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 89815984
- TTD ID
- D0K8GC
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