Compounds

ALA5272265

Name:
2,3-dibromo-4-(2-(ethylamino)-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-4,5,Show More⌵

Mol. Formula:
C13H13Br2N5O2

M.W.:
431.09

Type:
---

AlogP:
1.48

Polar Surface Area:
98.38

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5271328

Name:
4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-3-bromo-4,5,6,7-tetrahyShow More⌵

Mol. Formula:
C11H10BrN5O2

M.W.:
324.14

Type:
---

AlogP:
0.07

Polar Surface Area:
112.37

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5270069

Name:
5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidinShow More⌵

Mol. Formula:
C15H14FN5O2S

M.W.:
347.38

Type:
---

AlogP:
2.16

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5267995

Name:
N-(5-(2,3-dibromo-8-oxo-5,6,7,8-tetrahydropyrrolo[2,3-c]azepin-4(1H)-ylidenShow More⌵

Mol. Formula:
C13H11Br2N5O3

M.W.:
445.07

Type:
---

AlogP:
1.01

Polar Surface Area:
115.45

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5267800

Name:
N-(3-Chlorophenyl)-5-fluoro-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine

Mol. Formula:
C14H11ClFN5

M.W.:
303.73

Type:
---

AlogP:
3.41

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5282209

Name:
5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine

Mol. Formula:
C14H11ClN6O2

M.W.:
330.74

Type:
---

AlogP:
3.18

Polar Surface Area:
98.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5281583

Name:
5-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-7-chloro-3,4,5,10-tetraShow More⌵

Mol. Formula:
C15H12ClN5O2

M.W.:
329.75

Type:
---

AlogP:
1.11

Polar Surface Area:
112.37

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281179

Name:
5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidinShow More⌵

Mol. Formula:
C15H14ClN5O2S

M.W.:
363.83

Type:
---

AlogP:
2.68

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5278490

Name:
5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-N-(3-((trifluoromethyl)sulfonyl)phenyShow More⌵

Mol. Formula:
C15H11ClF3N5O2S

M.W.:
417.80

Type:
---

AlogP:
3.57

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5277367

Name:
5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-N-(4-((trifluoromethyl)sulfonyl)phenyShow More⌵

Mol. Formula:
C15H11F4N5O2S

M.W.:
401.35

Type:
---

AlogP:
3.05

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5277152

Name:
5-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-7-bromo-3,4,5,10-tetrahShow More⌵

Mol. Formula:
C15H12BrN5O2

M.W.:
374.20

Type:
---

AlogP:
1.22

Polar Surface Area:
112.37

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5277074

Name:
3-((5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)benzenesulfonShow More⌵

Mol. Formula:
C14H13ClN6O2S

M.W.:
364.82

Type:
---

AlogP:
1.92

Polar Surface Area:
115.79

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5273574

Name:
5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-N-(3-nitrophenyl)pyrimidin-2-amine

Mol. Formula:
C14H11FN6O2

M.W.:
314.28

Type:
---

AlogP:
2.67

Polar Surface Area:
98.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5286293

Name:
5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-N-(1-(methylsulfonyl)piperidin-4-yl)pShow More⌵

Mol. Formula:
C14H19FN6O2S

M.W.:
354.41

Type:
---

AlogP:
0.85

Polar Surface Area:
93.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5286271

Name:
4-((5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)benzenesulfonShow More⌵

Mol. Formula:
C14H13FN6O2S

M.W.:
348.36

Type:
---

AlogP:
1.41

Polar Surface Area:
115.79

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5286206

Name:
N-(3-Chloro-4-(trifluoromethyl)phenyl)-5-fluoro-4-(1-methyl-1H-pyrazol-4-ylShow More⌵

Mol. Formula:
C15H10ClF4N5

M.W.:
371.73

Type:
---

AlogP:
4.43

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5285766

Name:
5-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-7-fluoro-3,4,5,10-tetraShow More⌵

Mol. Formula:
C15H12FN5O2

M.W.:
313.29

Type:
---

AlogP:
0.60

Polar Surface Area:
112.37

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5285541

Name:
3-((4-Amino-6-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)benzenesulfonaShow More⌵

Mol. Formula:
C14H15N7O2S

M.W.:
345.39

Type:
---

AlogP:
0.85

Polar Surface Area:
141.81

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5285230

Name:
5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-N-(1-(methylsulfonyl)piperidin-4-yl)pShow More⌵

Mol. Formula:
C14H19ClN6O2S

M.W.:
370.87

Type:
---

AlogP:
1.37

Polar Surface Area:
93.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5290484

Name:
5-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-N-(3-((trifluoromethyl)sulfonyl)phenyShow More⌵

Mol. Formula:
C15H11F4N5O2S

M.W.:
401.35

Type:
---

AlogP:
3.05

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS