N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C106H92FN51O4S — CID 159704679

IUPACN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.Nc1ncnc2c1cnn2-c1cccc(N2CCOCC2)c1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1
InChIInChI=1S/C18H13FN6O.C16H12N6.C15H16N6O.C13H14N8O.C13H9N7.C12H13N7O.C10H8N6.C9H7N5S/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17;17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11;16-14-13-9-19-21(15(13)18-10-17-14)12-3-1-2-11(8-12)20-4-6-22-7-5-20;14-12-9-7-17-21(13(9)16-8-15-12)11-2-1-10(18-19-11)20-3-5-22-6-4-20;14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11;1-7(2)20-10-4-3-9(17-18-10)19-12-8(5-16-19)11(13)14-6-15-12;11-9-7-5-15-16(10(7)14-6-13-9)8-3-1-2-4-12-8;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-10H,(H,24,26)(H2,20,21,22);1-10H,(H2,17,19,20);1-3,8-10H,4-7H2,(H2,16,17,18);1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-7H,1-2H3,(H2,13,14,15);1-6H,(H2,11,13,14);1-5H,(H2,10,11,12)
InChIKeyMYBDKHUWGNZFKC-UHFFFAOYSA-N
MW2195.32 g/mol
LogP11.08
Rot. Bonds15

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159704679) has the molecular formula C106H92FN51O4S and a molecular weight of 2195.32 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID159704679
Molecular FormulaC106H92FN51O4S
Molecular Weight2195.32 g/mol
Exact Mass2193.83
IUPAC NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.Nc1ncnc2c1cnn2-c1cccc(N2CCOCC2)c1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1
InChIInChI=1S/C18H13FN6O.C16H12N6.C15H16N6O.C13H14N8O.C13H9N7.C12H13N7O.C10H8N6.C9H7N5S/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17;17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11;16-14-13-9-19-21(15(13)18-10-17-14)12-3-1-2-11(8-12)20-4-6-22-7-5-20;14-12-9-7-17-21(13(9)16-8-15-12)11-2-1-10(18-19-11)20-3-5-22-6-4-20;14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11;1-7(2)20-10-4-3-9(17-18-10)19-12-8(5-16-19)11(13)14-6-15-12;11-9-7-5-15-16(10(7)14-6-13-9)8-3-1-2-4-12-8;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-10H,(H,24,26)(H2,20,21,22);1-10H,(H2,17,19,20);1-3,8-10H,4-7H2,(H2,16,17,18);1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-7H,1-2H3,(H2,13,14,15);1-6H,(H2,11,13,14);1-5H,(H2,10,11,12)
InChIKeyMYBDKHUWGNZFKC-UHFFFAOYSA-N
XLogP11.08
TPSA723.35 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002195.32
LogP ≤ 511.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(2,1,3-Benzoxadiazol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;2-[2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]phenoxy]acetamide;8-(dimethylamino)-8-phenyl-3-pyrazin-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(5-pyridin-4-ylthiophen-2-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157207907
6-[3,5-Dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159738185
1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160496884
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridin-2-one;1-(6-chloropyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;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-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-propan-2-yloxypyridazin-3-yl)pyrazolo[4,5-c]pyridin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-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 157270404
1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
CID 157361253
N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 158054296
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide;4-[4-(1H-imidazo[4,5-b]pyridin-6-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 158110101
2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline
CID 158263141
N-(1-benzothiophen-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-(1-methylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine;3-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158846713
2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 159029525
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(3-methylphenyl)methyl]benzamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(4-fluorophenyl)urea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-2-ylurea
CID 159528021

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159704679) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-n2ncc3c(N)ncnc32)nn1.Nc1ncnc2c1cnn2-c1ccc(N2CCOCC2)nn1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(-c2ccncc2)c1.Nc1ncnc2c1cnn2-c1cccc(N2CCOCC2)c1.Nc1ncnc2c1cnn2-c1ccccn1.Nc1ncnc2c1cnn2-c1cccs1.Nc1ncnc2c1cnn2-c1cnc2ccccc2n1.
What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MYBDKHUWGNZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O.C16H12N6.C15H16N6O.C13H14N8O.C13H9N7.C12H13N7O.C10H8N6.C9H7N5S/c19-12-3-1-11(2-4-12)18(26)24-13-5-7-14(8-6-13)25-17-15(9-23-25)16(20)21-10-22-17;17-15-14-9-21-22(16(14)20-10-19-15)13-3-1-2-12(8-13)11-4-6-18-7-5-11;16-14-13-9-19-21(15(13)18-10-17-14)12-3-1-2-11(8-12)20-4-6-22-7-5-20;14-12-9-7-17-21(13(9)16-8-15-12)11-2-1-10(18-19-11)20-3-5-22-6-4-20;14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11;1-7(2)20-10-4-3-9(17-18-10)19-12-8(5-16-19)11(13)14-6-15-12;11-9-7-5-15-16(10(7)14-6-13-9)8-3-1-2-4-12-8;10-8-6-4-13-14(7-2-1-3-15-7)9(6)12-5-11-8/h1-10H,(H,24,26)(H2,20,21,22);1-10H,(H2,17,19,20);1-3,8-10H,4-7H2,(H2,16,17,18);1-2,7-8H,3-6H2,(H2,14,15,16);1-7H,(H2,14,16,17);3-7H,1-2H3,(H2,13,14,15);1-6H,(H2,11,13,14);1-5H,(H2,10,11,12).
What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2195.32 g/mol, XLogP of 11.08, 15 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-fluorobenzamide;1-(3-morpholin-4-ylphenyl)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-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-quinoxalin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159704679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).