Alternatived Products of [ 1232030-35-1 ]
Product Details of [ 1232030-35-1 ]
CAS No. : 1232030-35-1
MDL No. : MFCD26793866
Formula :
C25 H23 Cl2 FN6 O
Boiling Point :
-
Linear Structure Formula : -
InChI Key : DHKFOIHIUYFSOF-UHFFFAOYSA-N
M.W :
513.39
Pubchem ID : 68060125
Synonyms :
Chemical Name : 6-(2,4-Dichlorophenyl)-8-ethyl-2-((3-fluoro-4-(piperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
Calculated chemistry of [ 1232030-35-1 ]
Physicochemical Properties
Num. heavy atoms :
35
Num. arom. heavy atoms :
22
Fraction Csp3 :
0.24
Num. rotatable bonds :
5
Num. H-bond acceptors :
5.0
Num. H-bond donors :
2.0
Molar Refractivity :
146.18
TPSA :
75.08 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
Yes
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-6.0 cm/s
Lipophilicity
Log Po/w (iLOGP) :
4.19
Log Po/w (XLOGP3) :
4.83
Log Po/w (WLOGP) :
4.74
Log Po/w (MLOGP) :
4.56
Log Po/w (SILICOS-IT) :
4.84
Consensus Log Po/w :
4.63
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-6.2
Solubility :
0.000323 mg/ml ; 0.000000629 mol/l
Class :
Poorly soluble
Log S (Ali) :
-6.14
Solubility :
0.000372 mg/ml ; 0.000000724 mol/l
Class :
Poorly soluble
Log S (SILICOS-IT) :
-9.73
Solubility :
0.0000000956 mg/ml ; 0.0000000002 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
1.0 alert
Brenk :
0.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
3.48
Safety of [ 1232030-35-1 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P280-P305+P351+P338
UN#: N/A
Hazard Statements: H302
Packing Group: N/A
GHS Pictogram:
Application In Synthesis of [ 1232030-35-1 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 1232030-35-1 ]