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

C91H76F2N32O6S — CID 159528021

IUPAC4-(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
SMILESCc1ccc(CNC(=O)c2cccc(-n3ncc4c(N)ncnc43)c2)o1.Cc1cccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)c1.Nc1ncnc2c1cnn2-c1ccc(C(=O)NCc2cccc(F)c2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C20H18N6O.C19H15FN6O.C18H14FN7O.C18H16N6O2.C16H13N7OS/c1-13-3-2-4-14(9-13)10-22-20(27)15-5-7-16(8-6-15)26-19-17(11-25-26)18(21)23-12-24-19;20-14-3-1-2-12(8-14)9-22-19(27)13-4-6-15(7-5-13)26-18-16(10-25-26)17(21)23-11-24-18;19-11-1-3-12(4-2-11)24-18(27)25-13-5-7-14(8-6-13)26-17-15(9-23-26)16(20)21-10-22-17;1-11-5-6-14(26-11)8-20-18(25)12-3-2-4-13(7-12)24-17-15(9-23-24)16(19)21-10-22-17;17-14-12-8-20-23(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(24)22-13-5-2-6-25-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,21,23,24);1-8,10-11H,9H2,(H,22,27)(H2,21,23,24);1-10H,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);1-9H,(H2,17,18,19)(H2,21,22,24)
InChIKeyMCPYEQFJZBHYPG-UHFFFAOYSA-N
MW1783.89 g/mol
LogP13.62
Rot. Bonds18

About 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

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 (PubChem CID 159528021) has the molecular formula C91H76F2N32O6S and a molecular weight of 1783.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159528021
Molecular FormulaC91H76F2N32O6S
Molecular Weight1783.89 g/mol
Exact Mass1782.63
IUPAC Name4-(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
SMILESCc1ccc(CNC(=O)c2cccc(-n3ncc4c(N)ncnc43)c2)o1.Cc1cccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)c1.Nc1ncnc2c1cnn2-c1ccc(C(=O)NCc2cccc(F)c2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2cccs2)c1
InChIInChI=1S/C20H18N6O.C19H15FN6O.C18H14FN7O.C18H16N6O2.C16H13N7OS/c1-13-3-2-4-14(9-13)10-22-20(27)15-5-7-16(8-6-15)26-19-17(11-25-26)18(21)23-12-24-19;20-14-3-1-2-12(8-14)9-22-19(27)13-4-6-15(7-5-13)26-18-16(10-25-26)17(21)23-11-24-18;19-11-1-3-12(4-2-11)24-18(27)25-13-5-7-14(8-6-13)26-17-15(9-23-26)16(20)21-10-22-17;1-11-5-6-14(26-11)8-20-18(25)12-3-2-4-13(7-12)24-17-15(9-23-24)16(19)21-10-22-17;17-14-12-8-20-23(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(24)22-13-5-2-6-25-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,21,23,24);1-8,10-11H,9H2,(H,22,27)(H2,21,23,24);1-10H,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);1-9H,(H2,17,18,19)(H2,21,22,24)
InChIKeyMCPYEQFJZBHYPG-UHFFFAOYSA-N
XLogP13.62
TPSA530.80 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.89
LogP ≤ 513.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N,7-N-dimethyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-methyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 158517456
CID 158766877
CID 158766877
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-carboxamide;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;1-(3,5-difluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157087887
7-N-[(5-acetylthiophen-3-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate;tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-methylpropanoate;tert-butyl 3-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]propanoate;7-N-[2-(dimethylamino)ethyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-(2-methyl-3-oxobutan-2-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(2-oxopropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157906420
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-cyclopentylurea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-3-ylethanone;1-[3-(butylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158142421
5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-phenylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(4,5,6,7-tetrahydro-1-benzofuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 159146691
7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N,7-N-dimethyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N,7-N-dimethyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-methyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-methyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159218564
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
7-N-[(5-acetylthiophen-3-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate;tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-methylpropanoate;7-N-[2-(dimethylamino)ethyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-(2-methyl-3-oxobutan-2-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[5-(1-methoxyethenyl)thiophen-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(2-oxopropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 161011390
5-fluoro-3-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-(5-phenylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]thieno[2,3-d]pyrimidin-4-amine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-methyl-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrrolo[2,3-d]pyrimidine
CID 161012562
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-(3-methoxyphenyl)urea;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-2-ylurea
CID 161582266
5,7-dimethyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-[4-(2H-pyrrol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5,7-dimethyl-N-(4-thiophen-3-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(furan-3-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(1,3-oxazol-4-yl)aniline
CID 165008560

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CNC(=O)c2cccc(-n3ncc4c(N)ncnc43)c2)o1.Cc1cccc(CNC(=O)c2ccc(-n3ncc4c(N)ncnc43)cc2)c1.Nc1ncnc2c1cnn2-c1ccc(C(=O)NCc2cccc(F)c2)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2cccs2)c1.
What is the InChIKey of 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?
The InChIKey is MCPYEQFJZBHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C19H15FN6O.C18H14FN7O.C18H16N6O2.C16H13N7OS/c1-13-3-2-4-14(9-13)10-22-20(27)15-5-7-16(8-6-15)26-19-17(11-25-26)18(21)23-12-24-19;20-14-3-1-2-12(8-14)9-22-19(27)13-4-6-15(7-5-13)26-18-16(10-25-26)17(21)23-11-24-18;19-11-1-3-12(4-2-11)24-18(27)25-13-5-7-14(8-6-13)26-17-15(9-23-26)16(20)21-10-22-17;1-11-5-6-14(26-11)8-20-18(25)12-3-2-4-13(7-12)24-17-15(9-23-24)16(19)21-10-22-17;17-14-12-8-20-23(15(12)19-9-18-14)11-4-1-3-10(7-11)21-16(24)22-13-5-2-6-25-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,21,23,24);1-8,10-11H,9H2,(H,22,27)(H2,21,23,24);1-10H,(H2,20,21,22)(H2,24,25,27);2-7,9-10H,8H2,1H3,(H,20,25)(H2,19,21,22);1-9H,(H2,17,18,19)(H2,21,22,24).
What are the key properties of 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?
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 has a molecular weight of 1783.89 g/mol, XLogP of 13.62, 18 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159528021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).