Compounds

ALA5272410

Name:
6'-chloro-[3,3'-bipyridin]-6-amine

Mol. Formula:
C10H8ClN3

M.W.:
205.65

Type:
---

AlogP:
2.38

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA5271769

Name:
8-chloro-3-(1-((9-methyl-9H-purin-6-yl)amino)ethyl)-2-phenylisoquinolin-1(2Show More⌵

Mol. Formula:
C23H19ClN6O

M.W.:
430.90

Type:
---

AlogP:
4.49

Polar Surface Area:
77.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5271533

Name:
[3,3'-bipyridine]-5,6,6'-triamine

Mol. Formula:
C10H11N5

M.W.:
201.23

Type:
---

AlogP:
0.89

Polar Surface Area:
103.84

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5271507

Name:
2-amino-N-(1-(1-oxo-2-phenyl-8-((4-propylphenyl)ethynyl)-1,2-dihydroisoquinShow More⌵

Mol. Formula:
C35H30N6O2

M.W.:
566.67

Type:
---

AlogP:
5.46

Polar Surface Area:
107.31

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5270763

Name:
N-(1-(8-((4-methoxyphenyl)ethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-Show More⌵

Mol. Formula:
C33H25N5O3

M.W.:
539.60

Type:
---

AlogP:
4.93

Polar Surface Area:
90.52

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270439

Name:
N-(1-(8-chloro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)isoquinolinShow More⌵

Mol. Formula:
C27H20ClN3O2

M.W.:
453.93

Type:
---

AlogP:
5.68

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5270285

Name:
6'-chloro-5'-(trifluoromethyl)-[3,3'-bipyridin]-6-amine

Mol. Formula:
C11H7ClF3N3

M.W.:
273.64

Type:
---

AlogP:
3.40

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5268761

Name:
N-(6'-chloro-5'-(phenylsulfonamido)-[3,3'-bipyridin]-6-yl)butyramide

Mol. Formula:
C20H19ClN4O3S

M.W.:
430.92

Type:
---

AlogP:
4.34

Polar Surface Area:
101.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5268742

Name:
2-(2-morpholino-6-(1H-pyrazol-4-yl)-9H-purin-9-yl)ethanol

Mol. Formula:
C14H17N7O2

M.W.:
315.34

Type:
---

AlogP:
0.05

Polar Surface Area:
104.98

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5268273

Name:
3-(1-((9H-purin-6-yl)amino)ethyl)-2-phenyl-8-((4-propylphenyl)ethynl)isoquiShow More⌵

Mol. Formula:
C35H32N6O

M.W.:
552.68

Type:
---

AlogP:
7.13

Polar Surface Area:
88.49

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5282646

Name:
N-(1-(8-chloro-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)-6-morpholiShow More⌵

Mol. Formula:
C26H24ClN5O3

M.W.:
489.96

Type:
---

AlogP:
3.76

Polar Surface Area:
89.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5282219

Name:
2-amino-N-(1-(8-(cyclopropylethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-Show More⌵

Mol. Formula:
C29H24N6O2

M.W.:
488.55

Type:
---

AlogP:
3.87

Polar Surface Area:
107.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5282045

Name:
5,6'-diamino-[3,3'-bipyridine]-6-carbonitrile

Mol. Formula:
C11H9N5

M.W.:
211.23

Type:
---

AlogP:
1.18

Polar Surface Area:
101.61

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5281587

Name:
6-chloro-[3,3'-bipyridine]-5,6'-diamine

Mol. Formula:
C10H9ClN4

M.W.:
220.66

Type:
---

AlogP:
1.96

Polar Surface Area:
77.82

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5279499

Name:
[3,3'-bipyridine]-5,6'-diamine

Mol. Formula:
C10H10N4

M.W.:
186.22

Type:
---

AlogP:
1.31

Polar Surface Area:
77.82

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279455

Name:
2-amino-N-(1-(8-(3-methoxyprop-1-yn-1-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinShow More⌵

Mol. Formula:
C28H24N6O3

M.W.:
492.54

Type:
---

AlogP:
3.10

Polar Surface Area:
116.54

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5278908

Name:
6-methoxy-[3,3'-bipyridine]-5,6'-diamine

Mol. Formula:
C11H12N4O

M.W.:
216.24

Type:
---

AlogP:
1.32

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5278179

Name:
2-amino-N-(1-(1-oxo-2-phenyl-8-((4-(trifluoromethyl)phenyl)ethynyl)-1,2-dihShow More⌵

Mol. Formula:
C33H23F3N6O2

M.W.:
592.58

Type:
---

AlogP:
5.53

Polar Surface Area:
107.31

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5277394

Name:
N-(6-chloro-6'-(3-(2-methoxyethyl)ureido)-[3,3'-bipyridin]-5-yl)benzenesulfShow More⌵

Mol. Formula:
C20H20ClN5O4S

M.W.:
461.93

Type:
---

AlogP:
3.37

Polar Surface Area:
122.31

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5277177

Name:
8-(hex-1-yn-1-yl)-2-phenyl-3-{1-[(9H-purin-6-yl)amino]ethyl}-1,2-dihydroisoShow More⌵

Mol. Formula:
C28H26N6O

M.W.:
462.56

Type:
---

AlogP:
5.37

Polar Surface Area:
88.49

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS