Alternatived Products of [ 1353625-73-6 ]
Product Details of [ 1353625-73-6 ]
CAS No. : | 1353625-73-6 |
MDL No. : | MFCD28963961 |
Formula : |
C24H30ClN7O3S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GOFXWTVKPWJNGD-UWJYYQICSA-N |
M.W : |
532.06
|
Pubchem ID : | 58029842 |
Synonyms : |
GS-5806
|
Chemical Name : | N-(2-((S)-2-(5-((S)-3-Aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl)-4-chlorophenyl)methanesulfonamide |
Calculated chemistry of [ 1353625-73-6 ]
Physicochemical Properties
Num. heavy atoms : |
36 |
Num. arom. heavy atoms : |
15 |
Fraction Csp3 : |
0.46 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
147.19 |
TPSA : |
134.31 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.83 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.34 |
Log Po/w (XLOGP3) : |
2.42 |
Log Po/w (WLOGP) : |
2.77 |
Log Po/w (MLOGP) : |
2.1 |
Log Po/w (SILICOS-IT) : |
0.75 |
Consensus Log Po/w : |
2.28 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.58 |
Solubility : |
0.0141 mg/ml ; 0.0000266 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-4.88 |
Solubility : |
0.00697 mg/ml ; 0.0000131 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.68 |
Solubility : |
0.00111 mg/ml ; 0.00000208 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.58 |
Safety of [ 1353625-73-6 ]