2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C104H100ClF4N29O8 — CID 161305268

IUPAC2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccc(F)cc4)ncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccco4)on3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)c3ncnc(N)c23)cc1
InChIInChI=1S/C27H24ClF3N8O.C27H25FN8O.C26H28N6O3.C24H23N7O3/c1-15-7-9-16(10-8-15)21-20-23(32)34-14-35-24(20)39(37-21)26(2,3)13-33-25(40)19-12-36-38(22(19)27(29,30)31)18-6-4-5-17(28)11-18;1-16-4-6-18(7-5-16)23-22-24(29)33-15-34-25(22)36(35-23)27(2,3)13-30-26(37)21-12-20(31-14-32-21)17-8-10-19(28)11-9-17;1-16-5-7-19(8-6-16)23-22-24(27)29-15-30-25(22)32(31-23)26(3,4)14-28-21(34)13-35-20-11-9-18(10-12-20)17(2)33;1-14-6-8-15(9-7-14)20-19-21(25)27-13-28-22(19)31(29-20)24(2,3)12-26-23(32)16-11-18(34-30-16)17-5-4-10-33-17/h4-12,14H,13H2,1-3H3,(H,33,40)(H2,32,34,35);4-12,14-15H,13H2,1-3H3,(H,30,37)(H2,29,33,34);5-12,15H,13-14H2,1-4H3,(H,28,34)(H2,27,29,30);4-11,13H,12H2,1-3H3,(H,26,32)(H2,25,27,28)
InChIKeyVIDVSFIZVRYEQC-UHFFFAOYSA-N
MW1995.58 g/mol
LogP16.87
Rot. Bonds26

About 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 161305268) has the molecular formula C104H100ClF4N29O8 and a molecular weight of 1995.58 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID161305268
Molecular FormulaC104H100ClF4N29O8
Molecular Weight1995.58 g/mol
Exact Mass1993.79
IUPAC Name2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccc(F)cc4)ncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccco4)on3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)c3ncnc(N)c23)cc1
InChIInChI=1S/C27H24ClF3N8O.C27H25FN8O.C26H28N6O3.C24H23N7O3/c1-15-7-9-16(10-8-15)21-20-23(32)34-14-35-24(20)39(37-21)26(2,3)13-33-25(40)19-12-36-38(22(19)27(29,30)31)18-6-4-5-17(28)11-18;1-16-4-6-18(7-5-16)23-22-24(29)33-15-34-25(22)36(35-23)27(2,3)13-30-26(37)21-12-20(31-14-32-21)17-8-10-19(28)11-9-17;1-16-5-7-19(8-6-16)23-22-24(27)29-15-30-25(22)32(31-23)26(3,4)14-28-21(34)13-35-20-11-9-18(10-12-20)17(2)33;1-14-6-8-15(9-7-14)20-19-21(25)27-13-28-22(19)31(29-20)24(2,3)12-26-23(32)16-11-18(34-30-16)17-5-4-10-33-17/h4-12,14H,13H2,1-3H3,(H,33,40)(H2,32,34,35);4-12,14-15H,13H2,1-3H3,(H,30,37)(H2,29,33,34);5-12,15H,13-14H2,1-4H3,(H,28,34)(H2,27,29,30);4-11,13H,12H2,1-3H3,(H,26,32)(H2,25,27,28)
InChIKeyVIDVSFIZVRYEQC-UHFFFAOYSA-N
XLogP16.87
TPSA503.95 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001995.58
LogP ≤ 516.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 161305268) is 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCC(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccc(F)cc4)ncn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccco4)on3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)c3ncnc(N)c23)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VIDVSFIZVRYEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N8O.C27H25FN8O.C26H28N6O3.C24H23N7O3/c1-15-7-9-16(10-8-15)21-20-23(32)34-14-35-24(20)39(37-21)26(2,3)13-33-25(40)19-12-36-38(22(19)27(29,30)31)18-6-4-5-17(28)11-18;1-16-4-6-18(7-5-16)23-22-24(29)33-15-34-25(22)36(35-23)27(2,3)13-30-26(37)21-12-20(31-14-32-21)17-8-10-19(28)11-9-17;1-16-5-7-19(8-6-16)23-22-24(27)29-15-30-25(22)32(31-23)26(3,4)14-28-21(34)13-35-20-11-9-18(10-12-20)17(2)33;1-14-6-8-15(9-7-14)20-19-21(25)27-13-28-22(19)31(29-20)24(2,3)12-26-23(32)16-11-18(34-30-16)17-5-4-10-33-17/h4-12,14H,13H2,1-3H3,(H,33,40)(H2,32,34,35);4-12,14-15H,13H2,1-3H3,(H,30,37)(H2,29,33,34);5-12,15H,13-14H2,1-4H3,(H,28,34)(H2,27,29,30);4-11,13H,12H2,1-3H3,(H,26,32)(H2,25,27,28).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 1995.58 g/mol, XLogP of 16.87, 26 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]acetamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-(4-fluorophenyl)pyrimidine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 161305268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).