N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide

C86H89FN30O4 — CID 158876891

IUPACN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(F)c3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cncnc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccn3)c3ncnc(N)c23)cc1
InChIInChI=1S/C23H23FN6O.3C21H22N8O/c1-14-7-9-15(10-8-14)19-18-20(25)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)16-5-4-6-17(24)11-16;1-13-5-7-14(8-6-13)16-15-17(22)26-12-27-19(15)29(28-16)21(2,3)11-25-20(30)18-23-9-4-10-24-18;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)11-25-20(30)15-10-23-8-9-24-15/h4-11,13H,12H2,1-3H3,(H,26,31)(H2,25,27,28);4-10,12H,11H2,1-3H3,(H,25,30)(H2,22,26,27);4-9,11-12H,10H2,1-3H3,(H,25,30)(H2,22,26,27);4-10,12H,11H2,1-3H3,(H,25,30)(H2,22,26,27)
InChIKeyJCNXLIJWOMSOAP-UHFFFAOYSA-N
MW1625.86 g/mol
LogP10.71
Rot. Bonds20

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide (PubChem CID 158876891) has the molecular formula C86H89FN30O4 and a molecular weight of 1625.86 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide
PubChem CID158876891
Molecular FormulaC86H89FN30O4
Molecular Weight1625.86 g/mol
Exact Mass1624.77
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(F)c3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cncnc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccn3)c3ncnc(N)c23)cc1
InChIInChI=1S/C23H23FN6O.3C21H22N8O/c1-14-7-9-15(10-8-14)19-18-20(25)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)16-5-4-6-17(24)11-16;1-13-5-7-14(8-6-13)16-15-17(22)26-12-27-19(15)29(28-16)21(2,3)11-25-20(30)18-23-9-4-10-24-18;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)11-25-20(30)15-10-23-8-9-24-15/h4-11,13H,12H2,1-3H3,(H,26,31)(H2,25,27,28);4-10,12H,11H2,1-3H3,(H,25,30)(H2,22,26,27);4-9,11-12H,10H2,1-3H3,(H,25,30)(H2,22,26,27);4-10,12H,11H2,1-3H3,(H,25,30)(H2,22,26,27)
InChIKeyJCNXLIJWOMSOAP-UHFFFAOYSA-N
XLogP10.71
TPSA472.22 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.86
LogP ≤ 510.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-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]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide (CID 158876891) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(F)c3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cncnc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccn3)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]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide?
The InChIKey is JCNXLIJWOMSOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O.3C21H22N8O/c1-14-7-9-15(10-8-14)19-18-20(25)27-13-28-21(18)30(29-19)23(2,3)12-26-22(31)16-5-4-6-17(24)11-16;1-13-5-7-14(8-6-13)16-15-17(22)26-12-27-19(15)29(28-16)21(2,3)11-25-20(30)18-23-9-4-10-24-18;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15;1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)11-25-20(30)15-10-23-8-9-24-15/h4-11,13H,12H2,1-3H3,(H,26,31)(H2,25,27,28);4-10,12H,11H2,1-3H3,(H,25,30)(H2,22,26,27);4-9,11-12H,10H2,1-3H3,(H,25,30)(H2,22,26,27);4-10,12H,11H2,1-3H3,(H,25,30)(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]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide?
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide has a molecular weight of 1625.86 g/mol, XLogP of 10.71, 20 rotatable bonds, 8 hydrogen bond donors, and 30 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]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 158876891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).