Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
5.98Polar Surface Area:
31.82HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA2324346Name:
N-(4-fluorophenyl)-9-methyl-2-(3-methyl-1H-pyrazol-1-yl)-9H-purin-6-amineMol. Formula:
C16H14FN7M.W.:
323.34Type:
Small moleculeAlogP:
2.74Polar Surface Area:
73.45HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA472452Name:
5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C11H9ClN4SM.W.:
264.74Type:
Small moleculeAlogP:
3.06Polar Surface Area:
42.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA472402Name:
5-chloro-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C12H10ClN5M.W.:
259.70Type:
Small moleculeAlogP:
2.39Polar Surface Area:
55.11HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS- ALA513544
Name:
5-chloro-N-(1,2-diphenylethyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C20H17ClN4M.W.:
348.84Type:
Small moleculeAlogP:
4.78Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA469732
Name:
(R)-5-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H13ClN4M.W.:
272.74Type:
Small moleculeAlogP:
3.56Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA469731
Name:
(S)-5-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H13ClN4M.W.:
272.74Type:
Small moleculeAlogP:
3.56Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA471194
Name:
5-chloro-N-(3,5-dichlorobenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C13H9Cl3N4M.W.:
327.60Type:
Small moleculeAlogP:
4.30Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA510479
Name:
5-chloro-N-(3,4-dichlorobenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C13H9Cl3N4M.W.:
327.60Type:
Small moleculeAlogP:
4.30Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA471193
Name:
5-chloro-N-(4-phenoxybenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C19H15ClN4OM.W.:
350.81Type:
Small moleculeAlogP:
4.79Polar Surface Area:
51.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA512698
Name:
5-chloro-N-(4-nitrobenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C13H10ClN5O2M.W.:
303.71Type:
Small moleculeAlogP:
2.90Polar Surface Area:
85.36HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA471192
Name:
5-chloro-N-(4-(trifluoromethoxy)benzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H10ClF3N4OM.W.:
342.71Type:
Small moleculeAlogP:
3.89Polar Surface Area:
51.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA472028
Name:
5-chloro-N-(4-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H10ClF3N4M.W.:
326.71Type:
Small moleculeAlogP:
4.01Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA471852
Name:
5-chloro-N-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H13ClN4M.W.:
272.74Type:
Small moleculeAlogP:
3.30Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA445782
Name:
5-chloro-N-(4-chlorobenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C13H10Cl2N4M.W.:
293.16Type:
Small moleculeAlogP:
3.65Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA471826
Name:
5-chloro-N-(3-nitrobenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C13H10ClN5O2M.W.:
303.71Type:
Small moleculeAlogP:
2.90Polar Surface Area:
85.36HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA469540
Name:
5-chloro-N-(3-(trifluoromethoxy)benzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H10ClF3N4OM.W.:
342.71Type:
Small moleculeAlogP:
3.89Polar Surface Area:
51.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA469539
Name:
5-chloro-N-(3-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H10ClF3N4M.W.:
326.71Type:
Small moleculeAlogP:
4.01Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA511783
Name:
5-chloro-N-(3-methylbenzyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C14H13ClN4M.W.:
272.74Type:
Small moleculeAlogP:
3.30Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
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