Compounds

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
77.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4565845

Name:
N-((1R,6R)-6-amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazShow More⌵

Mol. Formula:
C22H23F2N7OS

M.W.:
471.54

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
103.13

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4561857

Name:
N-((1S,2S)-2-amino-3,3-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazShow More⌵

Mol. Formula:
C22H23F2N7OS

M.W.:
471.54

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
103.13

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4557345

Name:
4-(6-(2,3-dihydrobenzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trShow More⌵

Mol. Formula:
C21H15F3N4O2S

M.W.:
444.44

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4552799

Name:
N-[(1R,6R)-6-Amino-2,2-difluorocyclohexyl]-4-(imidazo[1,2-b]pyridazin-3-yl)Show More⌵

Mol. Formula:
C18H19F2N5OS

M.W.:
391.45

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
85.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4552628

Name:
N-((1R,6R)-6-amino-2,2-difluorocyclohexyl)-4-(6-chloropyrazolo[1,5-a]pyrimiShow More⌵

Mol. Formula:
C18H18ClF2N5OS

M.W.:
425.89

112 activity values

103 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
85.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4550486

Name:
N-((1RS,2SR)-2-aminocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrShow More⌵

Mol. Formula:
C22H25N7OS

M.W.:
435.56

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
103.13

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4550262

Name:
4-(6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)tShow More⌵

Mol. Formula:
C18H12F3N5OS

M.W.:
403.39

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
72.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4547786

Name:
4-(6-(1-methyl-1H-imidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-triShow More⌵

Mol. Formula:
C17H13F3N6OS

M.W.:
406.39

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
77.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4541288

Name:
4-(6-(1-methyl-1H-indol-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluShow More⌵

Mol. Formula:
C22H16F3N5OS

M.W.:
455.47

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
64.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4526375

Name:
4-(6-(benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyShow More⌵

Mol. Formula:
C21H13F3N4O2S

M.W.:
442.42

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
72.43

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4514812

Name:
4-(6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyShow More⌵

Mol. Formula:
C16H11F3N6OS

M.W.:
392.37

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
87.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3885486

Name:
5,5-dimethyl-2-(phenylamino)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Mol. Formula:
C14H14N4O

M.W.:
254.29

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3885321

Name:
(R)-7-(1-(4-fluorophenyl)ethyl)-5,5-dimethyl-2-(pyridin-3-ylamino)-5H-pyrroShow More⌵

Mol. Formula:
C21H20FN5O

M.W.:
377.42

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3885257

Name:
(R)-7-(2,2-difluoro-1-phenylethyl)-5,5-dimethyl-2-(phenylamino)-5H-pyrrolo[Show More⌵

Mol. Formula:
C22H20F2N4O

M.W.:
394.43

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3885232

Name:
5,5,7-trimethyl-2-(3-(piperazin-1-yl)phenylamino)-5H-pyrrolo[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C19H24N6O

M.W.:
352.44

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
73.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3885175

Name:
7-isopropyl-5,5-dimethyl-2-(phenylamino)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-oShow More⌵

Mol. Formula:
C17H20N4O

M.W.:
296.37

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3884929

Name:
5,5-dimethyl-7-(2-phenylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-dShow More⌵

Mol. Formula:
C22H23N5O

M.W.:
373.46

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3884884

Name:
(S)-5,5-dimethyl-7-(1-phenylethyl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C21H21N5O

M.W.:
359.43