Compounds

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4875673

Name:
rac-4-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C22H18F2N6O4

M.W.:
468.42

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
119.40

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4875306

Name:
3-(3-(4-(3,3-difluoropiperidin-1-yl)-5-fluoropyrimidin-2-yl)-1-(2-fluorobenShow More⌵

Mol. Formula:
C22H18F4N6O

M.W.:
458.42

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4870903

Name:
rac-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C23H20F2N6O3

M.W.:
466.45

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
110.17

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4869584

Name:
5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-N-(2-morpShow More⌵

Mol. Formula:
C23H23F2N7O2

M.W.:
467.48

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
94.13

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4869288

Name:
(S)-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C22H18F2N6O3

M.W.:
452.42

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
110.17

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4868617

Name:
4-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidShow More⌵

Mol. Formula:
C21H18F2N6O2

M.W.:
424.41

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
82.10

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4866089

Name:
4-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-isoxazol-3-yl-pyrazol-3-yl]pyriShow More⌵

Mol. Formula:
C21H18F2N6O3S

M.W.:
472.48

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
107.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4865595

Name:
rac-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C22H20F2N6O2

M.W.:
438.44

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
93.10

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4865417

Name:
rac-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C23H20F2N6O4

M.W.:
482.45

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
130.40

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4863961

Name:
3-(3-(5-fluoro-4-(piperidin-1-yl)pyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyraShow More⌵

Mol. Formula:
C22H20F2N6O

M.W.:
422.44

3 activity values

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4859933

Name:
(R)-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C23H20F2N6O3

M.W.:
466.45

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
110.17

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4859661

Name:
5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)-N-methylpShow More⌵

Mol. Formula:
C18H14F2N6O

M.W.:
368.35

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
81.66

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4859005

Name:
1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidShow More⌵

Mol. Formula:
C22H18F2N6O2

M.W.:
436.42

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
89.94

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4857302

Name:
3-(3-(4-(cyclopropylmethoxy)-5-fluoropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-Show More⌵

Mol. Formula:
C21H17F2N5O2

M.W.:
409.40

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4854687

Name:
3-(3-(5-fluoro-4-(pyrrolidin-1-yl)pyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrShow More⌵

Mol. Formula:
C21H18F2N6O

M.W.:
408.41

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
72.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4852892

Name:
(S)-1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrShow More⌵

Mol. Formula:
C23H20F2N6O3

M.W.:
466.45

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
110.17

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4852527

Name:
1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidShow More⌵

Mol. Formula:
C22H20F2N6O2

M.W.:
438.44

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
93.10

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4852211

Name:
rac-(1-(5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyShow More⌵

Mol. Formula:
C23H22F2N6O2

M.W.:
452.47