7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C149H173F3N32O7S — CID 159238221

About 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159238221) has the molecular formula C149H173F3N32O7S and a molecular weight of 2613.30 g/mol. Its IUPAC name is 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159238221
• Molecular Formula: C149H173F3N32O7S
• Molecular Weight: 2613.30 g/mol
• Exact Mass: 2611.38
• IUPAC Name: 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCCC(=S)CCC(C)(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc21.Cc1ccc(-c2nn(C(C)(C)CCC(=O)Cc3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccc(CCNC(=O)C(F)(F)F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccc(CCNC(=O)OC(C)(C)C)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(C)C)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C31H38N6O3.C28H29F3N6O2.C25H27N5O.C24H25N5O.C21H27N5S.C20H27N5/c1-20-7-11-23(12-8-20)26-25-27(32)34-19-35-28(25)37(36-26)31(5,6)17-15-24(38)22-13-9-21(10-14-22)16-18-33-29(39)40-30(2,3)4;1-17-4-8-20(9-5-17)23-22-24(32)34-16-35-25(22)37(36-23)27(2,3)14-12-21(38)19-10-6-18(7-11-19)13-15-33-26(39)28(29,30)31;1-17-9-11-19(12-10-17)22-21-23(26)27-16-28-24(21)30(29-22)25(2,3)14-13-20(31)15-18-7-5-4-6-8-18;1-16-9-11-18(12-10-16)21-20-22(25)26-15-27-23(20)29(28-21)24(2,3)14-13-19(30)17-7-5-4-6-8-17;1-5-6-16(27)11-12-21(3,4)26-20-17(19(22)23-13-24-20)18(25-26)15-9-7-14(2)8-10-15;1-13(2)10-11-20(4,5)25-19-16(18(21)22-12-23-19)17(24-25)15-8-6-14(3)7-9-15/h7-14,19H,15-18H2,1-6H3,(H,33,39)(H2,32,34,35);4-11,16H,12-15H2,1-3H3,(H,33,39)(H2,32,34,35);4-12,16H,13-15H2,1-3H3,(H2,26,27,28);4-12,15H,13-14H2,1-3H3,(H2,25,26,27);7-10,13H,5-6,11-12H2,1-4H3,(H2,22,23,24);6-9,12-13H,10-11H2,1-5H3,(H2,21,22,23)
• InChIKey: KTTDYDIRIPZQOG-UHFFFAOYSA-N
• XLogP: 29.97
• TPSA: 553.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.30
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159238221) is 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCC(=S)CCC(C)(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc21.Cc1ccc(-c2nn(C(C)(C)CCC(=O)Cc3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccc(CCNC(=O)C(F)(F)F)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccc(CCNC(=O)OC(C)(C)C)cc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(=O)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CCC(C)C)c3ncnc(N)c23)cc1.

What is the InChIKey of 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is KTTDYDIRIPZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O3.C28H29F3N6O2.C25H27N5O.C24H25N5O.C21H27N5S.C20H27N5/c1-20-7-11-23(12-8-20)26-25-27(32)34-19-35-28(25)37(36-26)31(5,6)17-15-24(38)22-13-9-21(10-14-22)16-18-33-29(39)40-30(2,3)4;1-17-4-8-20(9-5-17)23-22-24(32)34-16-35-25(22)37(36-23)27(2,3)14-12-21(38)19-10-6-18(7-11-19)13-15-33-26(39)28(29,30)31;1-17-9-11-19(12-10-17)22-21-23(26)27-16-28-24(21)30(29-22)25(2,3)14-13-20(31)15-18-7-5-4-6-8-18;1-16-9-11-18(12-10-16)21-20-22(25)26-15-27-23(20)29(28-21)24(2,3)14-13-19(30)17-7-5-4-6-8-17;1-5-6-16(27)11-12-21(3,4)26-20-17(19(22)23-13-24-20)18(25-26)15-9-7-14(2)8-10-15;1-13(2)10-11-20(4,5)25-19-16(18(21)22-12-23-19)17(24-25)15-8-6-14(3)7-9-15/h7-14,19H,15-18H2,1-6H3,(H,33,39)(H2,32,34,35);4-11,16H,12-15H2,1-3H3,(H,33,39)(H2,32,34,35);4-12,16H,13-15H2,1-3H3,(H2,26,27,28);4-12,15H,13-14H2,1-3H3,(H2,25,26,27);7-10,13H,5-6,11-12H2,1-4H3,(H2,22,23,24);6-9,12-13H,10-11H2,1-5H3,(H2,21,22,23).

What are the key properties of 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2613.30 g/mol, XLogP of 29.97, 43 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-7-methyloctane-4-thione;N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]-2,2,2-trifluoroacetamide;5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methyl-1-phenylhexan-2-one;4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-1-phenylpentan-1-one;tert-butyl N-[2-[4-[4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpentanoyl]phenyl]ethyl]carbamate;1-(2,5-dimethylhexan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159238221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).