N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide

C89H95N27O6S — CID 161173998

IUPACN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide
SMILESCOc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNS(=O)(=O)c3ccccc3)c3ncnc(N)c23)cc1
InChIInChI=1S/C23H25N7O2.C23H24N6O.C22H24N6O2S.C21H22N8O/c1-14-5-7-15(8-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)17-11-16(32-4)9-10-25-17;1-15-9-11-16(12-10-15)19-18-20(24)26-14-27-21(18)29(28-19)23(2,3)13-25-22(30)17-7-5-4-6-8-17;1-15-9-11-16(12-10-15)19-18-20(23)24-14-25-21(18)28(27-19)22(2,3)13-26-31(29,30)17-7-5-4-6-8-17;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-24-20(30)15-8-9-23-11-25-15/h5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);4-12,14H,13H2,1-3H3,(H,25,30)(H2,24,26,27);4-12,14,26H,13H2,1-3H3,(H2,23,24,25);4-9,11-12H,10H2,1-3H3,(H,24,30)(H2,22,26,27)
InChIKeyUROCXKJXPPTRCO-UHFFFAOYSA-N
MW1670.99 g/mol
LogP11.94
Rot. Bonds22

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide (PubChem CID 161173998) has the molecular formula C89H95N27O6S and a molecular weight of 1670.99 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide
PubChem CID161173998
Molecular FormulaC89H95N27O6S
Molecular Weight1670.99 g/mol
Exact Mass1669.77
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide
SMILESCOc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNS(=O)(=O)c3ccccc3)c3ncnc(N)c23)cc1
InChIInChI=1S/C23H25N7O2.C23H24N6O.C22H24N6O2S.C21H22N8O/c1-14-5-7-15(8-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)17-11-16(32-4)9-10-25-17;1-15-9-11-16(12-10-15)19-18-20(24)26-14-27-21(18)29(28-19)23(2,3)13-25-22(30)17-7-5-4-6-8-17;1-15-9-11-16(12-10-15)19-18-20(23)24-14-25-21(18)28(27-19)22(2,3)13-26-31(29,30)17-7-5-4-6-8-17;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-24-20(30)15-8-9-23-11-25-15/h5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);4-12,14H,13H2,1-3H3,(H,25,30)(H2,24,26,27);4-12,14,26H,13H2,1-3H3,(H2,23,24,25);4-9,11-12H,10H2,1-3H3,(H,24,30)(H2,22,26,27)
InChIKeyUROCXKJXPPTRCO-UHFFFAOYSA-N
XLogP11.94
TPSA459.85 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001670.99
LogP ≤ 511.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide (CID 161173998) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide is COc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccccc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNS(=O)(=O)c3ccccc3)c3ncnc(N)c23)cc1.
What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide?
The InChIKey is UROCXKJXPPTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.C23H24N6O.C22H24N6O2S.C21H22N8O/c1-14-5-7-15(8-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)17-11-16(32-4)9-10-25-17;1-15-9-11-16(12-10-15)19-18-20(24)26-14-27-21(18)29(28-19)23(2,3)13-25-22(30)17-7-5-4-6-8-17;1-15-9-11-16(12-10-15)19-18-20(23)24-14-25-21(18)28(27-19)22(2,3)13-26-31(29,30)17-7-5-4-6-8-17;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-24-20(30)15-8-9-23-11-25-15/h5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);4-12,14H,13H2,1-3H3,(H,25,30)(H2,24,26,27);4-12,14,26H,13H2,1-3H3,(H2,23,24,25);4-9,11-12H,10H2,1-3H3,(H,24,30)(H2,22,26,27).
What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide?
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide has a molecular weight of 1670.99 g/mol, XLogP of 11.94, 22 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzenesulfonamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methoxypyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 161173998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).