3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C102H112F5N41O7S — CID 161442002

IUPAC3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1cnc2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(CO)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(NS(C)(=O)=O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C15H17FN6O2S.C15H16FN5O.3C14H14FN5O.C14H15N5O.2C8H11N5/c1-8(2)22-15-12(14(17)18-7-19-15)13(20-22)9-4-10(16)6-11(5-9)21-25(3,23)24;1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-3-9(6-22)4-11(16)5-10;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-10(21)9(15)5-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8;1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8/h4-8,21H,1-3H3,(H2,17,18,19);3-5,7-8,22H,6H2,1-2H3,(H2,17,18,19);3*3-7,21H,1-2H3,(H2,16,17,18);3-8,20H,1-2H3,(H2,15,16,17);2*3-5H,1-2H3,(H2,9,10,11)
InChIKeyVZJXGSAMEOKEPV-UHFFFAOYSA-N
MW2151.35 g/mol
LogP16.30
Rot. Bonds17

About 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161442002) has the molecular formula C102H112F5N41O7S and a molecular weight of 2151.35 g/mol. Its IUPAC name is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID161442002
Molecular FormulaC102H112F5N41O7S
Molecular Weight2151.35 g/mol
Exact Mass2149.93
IUPAC Name3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1cnc2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(CO)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(NS(C)(=O)=O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CC(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C15H17FN6O2S.C15H16FN5O.3C14H14FN5O.C14H15N5O.2C8H11N5/c1-8(2)22-15-12(14(17)18-7-19-15)13(20-22)9-4-10(16)6-11(5-9)21-25(3,23)24;1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-3-9(6-22)4-11(16)5-10;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-10(21)9(15)5-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8;1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8/h4-8,21H,1-3H3,(H2,17,18,19);3-5,7-8,22H,6H2,1-2H3,(H2,17,18,19);3*3-7,21H,1-2H3,(H2,16,17,18);3-8,20H,1-2H3,(H2,15,16,17);2*3-5H,1-2H3,(H2,9,10,11)
InChIKeyVZJXGSAMEOKEPV-UHFFFAOYSA-N
XLogP16.30
TPSA704.28 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds17
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002151.35
LogP ≤ 516.30
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-[4-amino-1-[[4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320946
3-[4-amino-1-[[5-methyl-4-[(1S,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344769
3-[4-Amino-1-[[5-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345240
3-[4-amino-1-[[5-methyl-4-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 144683786
3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
CID 158483587
3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-quinolin-7-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
CID 160319238
[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-lambda6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160542122
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;4-[2-ethyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;3-fluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]-5-methylphenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine;3-(3-methyl-2H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 161786261
6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylsulfonylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;methane;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-[[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol;4-[[6-(2H-pyrrol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol;6-[[6-(2H-pyrrol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 161973178
4-[6-(2H-benzotriazol-5-yl)-9-benzylpurin-2-yl]morpholine;4-(9-benzyl-2-morpholin-4-ylpurin-6-yl)benzene-1,2-diamine;3-[9-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]phenol
CID 123943609
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylbut-3-yn-2-ol;[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol;3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol;3-(3-fluoro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane
CID 157116405
5-(4-Fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 157184835

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 161442002) is 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1cnc2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(CO)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(F)cc(NS(C)(=O)=O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21.CC(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21.CC(C)n1ncc2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VZJXGSAMEOKEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O2S.C15H16FN5O.3C14H14FN5O.C14H15N5O.2C8H11N5/c1-8(2)22-15-12(14(17)18-7-19-15)13(20-22)9-4-10(16)6-11(5-9)21-25(3,23)24;1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)10-3-9(6-22)4-11(16)5-10;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-9(15)5-10(21)4-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-10(21)9(15)5-8;1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8;1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-6(3-12-13)7(9)10-4-11-8/h4-8,21H,1-3H3,(H2,17,18,19);3-5,7-8,22H,6H2,1-2H3,(H2,17,18,19);3*3-7,21H,1-2H3,(H2,16,17,18);3-8,20H,1-2H3,(H2,15,16,17);2*3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2151.35 g/mol, XLogP of 16.30, 17 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161442002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).