3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C115H90ClF3N58O3S — CID 161488486

IUPAC3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(F)c1.Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1.Nc1ncnc2c1cnn2-c1ccncc1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1
InChIInChI=1S/C14H11N7.C12H9F2N5O.C12H9N7.C12H8N6S.C12H11N5O.C12H11N5.C11H8ClN5.C11H8FN5.C10H8N6.C9H7N7O/c15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-12(14)20-8-3-1-2-7(4-8)19-11-9(5-18-19)10(15)16-6-17-11;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h1-8H,(H,16,17)(H2,15,18,19);1-6,12H,(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2*1-6H,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12)
InChIKeyWFHDGKBNPADNFZ-UHFFFAOYSA-N
MW2456.90 g/mol
LogP14.04
Rot. Bonds14

About 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161488486) has the molecular formula C115H90ClF3N58O3S and a molecular weight of 2456.90 g/mol. Its IUPAC name is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID161488486
Molecular FormulaC115H90ClF3N58O3S
Molecular Weight2456.90 g/mol
Exact Mass2454.80
IUPAC Name3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(F)c1.Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1.Nc1ncnc2c1cnn2-c1ccncc1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1
InChIInChI=1S/C14H11N7.C12H9F2N5O.C12H9N7.C12H8N6S.C12H11N5O.C12H11N5.C11H8ClN5.C11H8FN5.C10H8N6.C9H7N7O/c15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-12(14)20-8-3-1-2-7(4-8)19-11-9(5-18-19)10(15)16-6-17-11;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h1-8H,(H,16,17)(H2,15,18,19);1-6,12H,(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2*1-6H,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12)
InChIKeyWFHDGKBNPADNFZ-UHFFFAOYSA-N
XLogP14.04
TPSA843.55 Ų
H-Bond Donors13
H-Bond Acceptors59
Rotatable Bonds14
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.90
LogP ≤ 514.04
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1059

Analyze 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 158365475
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;2-propyl-3H-pyrazol-2-ium;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[3,2-c]pyridine;quinoline;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 159498526
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrimidin-2-amine
CID 159951886
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyridin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;2H-indene;1H-indole;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161254517
1H-benzimidazole;3-chloro-5-methylpyridine;3-(1,1-difluoroethyl)pyridine;2,3-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);bis(3-methylpyridine);pyrazine;bis(pyridine);4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 161403183
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161692321
1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)-1H-pyrrole;6-methyl-3H-indole;1-methyl-3H-indol-1-ium;6-methyl-1H-isoindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 162122995
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;bis(1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine);1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157158498
6-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyridin-3-ol;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157410001
1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;bis(1-(4-fluorophenyl)imidazole);2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 158018043
1-(1,3-benzothiazol-2-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine;3-N-(3,4-dimethoxyphenyl)-1-(4-piperidin-1-ylpyrimidin-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(1H-indazol-5-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 158335782
1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-chloro-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3H-isoindol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;methane;bis(1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine);1-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158749458

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 161488486) is 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(=O)[nH]n1.Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(F)c1.Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1.Nc1ncnc2c1cnn2-c1ccncc1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1.
What is the InChIKey of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WFHDGKBNPADNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7.C12H9F2N5O.C12H9N7.C12H8N6S.C12H11N5O.C12H11N5.C11H8ClN5.C11H8FN5.C10H8N6.C9H7N7O/c15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;13-12(14)20-8-3-1-2-7(4-8)19-11-9(5-18-19)10(15)16-6-17-11;13-11-9-5-17-19(12(9)15-6-14-11)8-1-2-10-7(3-8)4-16-18-10;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;1-18-9-4-2-3-8(5-9)17-12-10(6-16-17)11(13)14-7-15-12;1-8-3-2-4-9(5-8)17-12-10(6-16-17)11(13)14-7-15-12;12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11;11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;10-8-5-3-13-16(9(5)12-4-11-8)6-1-2-7(17)15-14-6/h1-8H,(H,16,17)(H2,15,18,19);1-6,12H,(H2,15,16,17);1-6H,(H,16,18)(H2,13,14,15);1-6H,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2-7H,1H3,(H2,13,14,15);2*1-6H,(H2,13,14,15);1-6H,(H2,11,13,14);1-4H,(H,15,17)(H2,10,11,12).
What are the key properties of 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2456.90 g/mol, XLogP of 14.04, 14 rotatable bonds, 13 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).