4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide

C60H50N26O7S4 — CID 157273168

IUPAC4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)cc1.Cn1cnc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)c1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N6O3S.C15H14N8O2S.C15H12N6O2S2.C12H8N6/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18;1-22-7-13(19-9-22)26(24,25)21-10-2-4-11(5-3-10)23-15-12(6-20-23)14(16)17-8-18-15;16-14-12-8-19-21(15(12)18-9-17-14)11-5-3-10(4-6-11)20-25(22,23)13-2-1-7-24-13;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h2-11,23H,1H3,(H2,19,20,21);2-9,21H,1H3,(H2,16,17,18);1-9,20H,(H2,16,17,18);1-4,6-7H,(H2,14,15,16)
InChIKeyAYTVUWBOAWTILY-UHFFFAOYSA-N
MW1375.50 g/mol
LogP6.67
Rot. Bonds14

About 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 157273168) has the molecular formula C60H50N26O7S4 and a molecular weight of 1375.50 g/mol. Its IUPAC name is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID157273168
Molecular FormulaC60H50N26O7S4
Molecular Weight1375.50 g/mol
Exact Mass1374.32
IUPAC Name4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)cc1.Cn1cnc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)c1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N6O3S.C15H14N8O2S.C15H12N6O2S2.C12H8N6/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18;1-22-7-13(19-9-22)26(24,25)21-10-2-4-11(5-3-10)23-15-12(6-20-23)14(16)17-8-18-15;16-14-12-8-19-21(15(12)18-9-17-14)11-5-3-10(4-6-11)20-25(22,23)13-2-1-7-24-13;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h2-11,23H,1H3,(H2,19,20,21);2-9,21H,1H3,(H2,16,17,18);1-9,20H,(H2,16,17,18);1-4,6-7H,(H2,14,15,16)
InChIKeyAYTVUWBOAWTILY-UHFFFAOYSA-N
XLogP6.67
TPSA467.83 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.50
LogP ≤ 56.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157086897
4-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybutan-2-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]pentan-2-one;1-[3-[(4-methoxyphenyl)sulfonylmethyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[(6-phenoxy-3-pyridinyl)sulfonylmethyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(thiophen-2-ylsulfonylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 160752560

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 157273168) is 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)cc1.Cn1cnc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)c1.N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is AYTVUWBOAWTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S.C15H14N8O2S.C15H12N6O2S2.C12H8N6/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18;1-22-7-13(19-9-22)26(24,25)21-10-2-4-11(5-3-10)23-15-12(6-20-23)14(16)17-8-18-15;16-14-12-8-19-21(15(12)18-9-17-14)11-5-3-10(4-6-11)20-25(22,23)13-2-1-7-24-13;13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h2-11,23H,1H3,(H2,19,20,21);2-9,21H,1H3,(H2,16,17,18);1-9,20H,(H2,16,17,18);1-4,6-7H,(H2,14,15,16).
What are the key properties of 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide?
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 1375.50 g/mol, XLogP of 6.67, 14 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 157273168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).