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

C129H110ClFN56OS — CID 158749458

IUPAC1-(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
SMILESC.C.Cc1cc(-n2ncc3c(N)ncnc32)ccn1.Cc1cc(Cl)cc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ccc2c1.Nc1ncnc2c1cnn2-c1ccc2c(c1)CN=C2.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1
InChIInChI=1S/C17H13N5O.C14H11N7.2C13H10N6.C12H10ClN5.C12H8N6S.2C12H11N5.C11H8FN5.C11H10N6.2CH4/c18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;14-12-11-6-18-19(13(11)17-7-16-12)10-2-1-8-4-15-5-9(8)3-10;14-12-10-6-18-19(13(10)17-7-16-12)9-1-2-11-8(5-9)3-4-15-11;1-7-2-8(13)4-9(3-7)18-12-10(5-17-18)11(14)15-6-16-12;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;2*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;1-7-4-8(2-3-13-7)17-11-9(5-16-17)10(12)14-6-15-11;;/h1-11H,(H2,18,19,20);1-8H,(H,16,17)(H2,15,18,19);1-4,6-7H,5H2,(H2,14,16,17);1-7,15H,(H2,14,16,17);2-6H,1H3,(H2,14,15,16);1-6H,(H2,13,14,15);2*2-7H,1H3,(H2,13,14,15);1-6H,(H2,13,14,15);2-6H,1H3,(H2,12,14,15);2*1H4
InChIKeyINHFQGVRVHDGAS-UHFFFAOYSA-N
MW2547.21 g/mol
LogP19.88
Rot. Bonds13

About 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

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 (PubChem CID 158749458) has the molecular formula C129H110ClFN56OS and a molecular weight of 2547.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158749458
Molecular FormulaC129H110ClFN56OS
Molecular Weight2547.21 g/mol
Exact Mass2544.97
IUPAC Name1-(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
SMILESC.C.Cc1cc(-n2ncc3c(N)ncnc32)ccn1.Cc1cc(Cl)cc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ccc2c1.Nc1ncnc2c1cnn2-c1ccc2c(c1)CN=C2.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1
InChIInChI=1S/C17H13N5O.C14H11N7.2C13H10N6.C12H10ClN5.C12H8N6S.2C12H11N5.C11H8FN5.C11H10N6.2CH4/c18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;14-12-11-6-18-19(13(11)17-7-16-12)10-2-1-8-4-15-5-9(8)3-10;14-12-10-6-18-19(13(10)17-7-16-12)9-1-2-11-8(5-9)3-4-15-11;1-7-2-8(13)4-9(3-7)18-12-10(5-17-18)11(14)15-6-16-12;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;2*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;1-7-4-8(2-3-13-7)17-11-9(5-16-17)10(12)14-6-15-11;;/h1-11H,(H2,18,19,20);1-8H,(H,16,17)(H2,15,18,19);1-4,6-7H,5H2,(H2,14,16,17);1-7,15H,(H2,14,16,17);2-6H,1H3,(H2,14,15,16);1-6H,(H2,13,14,15);2*2-7H,1H3,(H2,13,14,15);1-6H,(H2,13,14,15);2-6H,1H3,(H2,12,14,15);2*1H4
InChIKeyINHFQGVRVHDGAS-UHFFFAOYSA-N
XLogP19.88
TPSA788.04 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds13
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002547.21
LogP ≤ 519.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Analyze 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 with MolForge

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Related Compounds

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
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
N-(3H-inden-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(1H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-isoindol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(6-methylpyridazin-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine
CID 157765771
5-tert-butyl-1,3-benzothiazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158471550
1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2-(3-fluorophenyl)-1,3-thiazole;isoquinoline;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-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;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 158756493
2-(4-Chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;tris(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-(3-isocyanophenyl)-2-methylaniline;4-methoxy-2-methylaniline;4-methyl-5-(4-methylphenyl)-2-phenyl-1,3-thiazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
CID 159997750
2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 161487992
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
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]ethenol;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-(1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;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]pyrimidine
CID 161816923

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.Cc1cc(-n2ncc3c(N)ncnc32)ccn1.Cc1cc(Cl)cc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Cc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1ccc(F)cc1.Nc1ncnc2c1cnn2-c1ccc(Oc2ccccc2)cc1.Nc1ncnc2c1cnn2-c1ccc2[nH]ccc2c1.Nc1ncnc2c1cnn2-c1ccc2c(c1)CN=C2.Nc1ncnc2c1cnn2-c1cccc(-c2cnc[nH]2)c1.Nc1ncnc2c1cnn2-c1nc2ccccc2s1.
What is the InChIKey of 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?
The InChIKey is INHFQGVRVHDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O.C14H11N7.2C13H10N6.C12H10ClN5.C12H8N6S.2C12H11N5.C11H8FN5.C11H10N6.2CH4/c18-16-15-10-21-22(17(15)20-11-19-16)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13;15-13-11-5-20-21(14(11)19-8-18-13)10-3-1-2-9(4-10)12-6-16-7-17-12;14-12-11-6-18-19(13(11)17-7-16-12)10-2-1-8-4-15-5-9(8)3-10;14-12-10-6-18-19(13(10)17-7-16-12)9-1-2-11-8(5-9)3-4-15-11;1-7-2-8(13)4-9(3-7)18-12-10(5-17-18)11(14)15-6-16-12;13-10-7-5-16-18(11(7)15-6-14-10)12-17-8-3-1-2-4-9(8)19-12;2*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;1-7-4-8(2-3-13-7)17-11-9(5-16-17)10(12)14-6-15-11;;/h1-11H,(H2,18,19,20);1-8H,(H,16,17)(H2,15,18,19);1-4,6-7H,5H2,(H2,14,16,17);1-7,15H,(H2,14,16,17);2-6H,1H3,(H2,14,15,16);1-6H,(H2,13,14,15);2*2-7H,1H3,(H2,13,14,15);1-6H,(H2,13,14,15);2-6H,1H3,(H2,12,14,15);2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2547.21 g/mol, XLogP of 19.88, 13 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158749458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).