Compounds

ALA5207444

Name:
ethyl (3-(2-(3-((5-cyanopyrazin-2-yl)amino)-1H-pyrazol-5-yl)-5-fluoro-3-metShow More⌵

Mol. Formula:
C21H22FN7O4

M.W.:
455.45

3 activity values

2 unique targets

Type:
---

AlogP:
3.14

Polar Surface Area:
147.07

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5194825

Name:
5-((5-(2-(3-aminopropoxy)-4-fluoro-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pShow More⌵

Mol. Formula:
C18H18FN7O2

M.W.:
383.39

4 activity values

3 unique targets

Type:
---

AlogP:
2.36

Polar Surface Area:
134.76

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4879029

Name:
3-((4-((2-((6-Cyanopyridin-3-yl)amino)-5-(trifluoromethyl)-pyrimidin-4-yl)aShow More⌵

Mol. Formula:
C17H19F3N8O

M.W.:
408.39

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
141.64

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4876656

Name:
5-((4-((2-Aminoethyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)-amino)picoliShow More⌵

Mol. Formula:
C13H12F3N7

M.W.:
323.28

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
112.54

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4876594

Name:
(S)-5-((4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)-amino)-3-(pyrrolShow More⌵

Mol. Formula:
C16H16F3N7O

M.W.:
379.35

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4876389

Name:
(R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)aShow More⌵

Mol. Formula:
C16H16F3N7O

M.W.:
379.35

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.91

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4875371

Name:
5-((4-((3-(Cyclopropylamino)propyl)amino)-5-(trifluoromethyl)-pyrimidin-2-yShow More⌵

Mol. Formula:
C17H18F3N7

M.W.:
377.37

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
98.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4873839

Name:
3-((2-(Dimethylamino)ethyl)amino)-5-((4-(methylamino)-5-(trifluoromethyl)pyShow More⌵

Mol. Formula:
C16H19F3N8

M.W.:
380.38

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
101.79

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4872380

Name:
5-((4-((3-Amino-2,2-dimethylpropyl)amino)-5-(trifluoromethyl)pyrimidin-2-ylShow More⌵

Mol. Formula:
C16H18F3N7

M.W.:
365.36

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
112.54

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4871866

Name:
5-((4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-((2-(methylaShow More⌵

Mol. Formula:
C15H17F3N8

M.W.:
366.35

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
110.58

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4870914

Name:
5-((4-((3-((2-(Methylsulfonyl)ethyl)amino)propyl)amino)-5-(trifluoromethyl)Show More⌵

Mol. Formula:
C17H20F3N7O2S

M.W.:
443.46

10 activity values

5 unique targets

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
132.69

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4870755

Name:
5-((4-((3-((2-Hydroxyethyl)amino)propyl)amino)-5-(trifluoromethyl)pyrimidinShow More⌵

Mol. Formula:
C16H18F3N7O

M.W.:
381.36

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
118.78

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4870386

Name:
(R)-3-(Piperidin-3-yloxy)-5-((5-(trifluoromethyl)pyrimidin-2-yl)-amino)picoShow More⌵

Mol. Formula:
C16H15F3N6O

M.W.:
364.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
95.75

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4868428

Name:
5-((4-((3-(Methylamino)butyl)amino)-5-(trifluoromethyl)-pyrimidin-2-yl)aminShow More⌵

Mol. Formula:
C16H18F3N7

M.W.:
365.36

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
98.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4867741

Name:
N-(3-((2-((6-Cyanopyridin-3-yl)amino)-5-(trifluoromethyl)-Pyrimidin-4-yl)amShow More⌵

Mol. Formula:
C15H14F3N7O

M.W.:
365.32

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
115.62

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4867239

Name:
5-((4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(piperidin-4Show More⌵

Mol. Formula:
C17H18F3N7O

M.W.:
393.37

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4867173

Name:
5-((4-((3-Aminopropyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)picoliShow More⌵

Mol. Formula:
C14H14F3N7

M.W.:
337.31

11 activity values

5 unique targets

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
112.54

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4867103

Name:
Rac-5-((4-((3-Aminobutyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)-amino)piShow More⌵

Mol. Formula:
C15H16F3N7

M.W.:
351.34

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
112.54

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4867008

Name:
(R)-5-((4-((Piperidin-3-ylmethyl)amino)-5-(trifluoromethyl)-pyrimidin-2-yl)Show More⌵

Mol. Formula:
C17H18F3N7

M.W.:
377.37

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
98.55

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4866980

Name:
5-((4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(piperidin-4Show More⌵

Mol. Formula:
C18H20F3N7O

M.W.:
407.40

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS