N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C116H139Cl3F2N42O9S — CID 159881114

About N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159881114) has the molecular formula C116H139Cl3F2N42O9S and a molecular weight of 2442.09 g/mol. Its IUPAC name is N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159881114
• Molecular Formula: C116H139Cl3F2N42O9S
• Molecular Weight: 2442.09 g/mol
• Exact Mass: 2439.05
• IUPAC Name: N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1Cl.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1F.COc1cc(Cl)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)ccc1-c1nn(C)c2ncnc(N)c12.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.COc1ccc(Cl)c(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c(N)ncnc21
• InChI: InChI=1S/C16H20N6O2S.C14H14N6O.3C13H12ClN5O.2C13H12FN5O.C13H13N5O.8CH4/c1-16(2,3)24-15(23)18-7-9-5-6-10(25-9)12-11-13(17)19-8-20-14(11)22(4)21-12;1-8(21)18-10-5-3-9(4-6-10)12-11-13(15)16-7-17-14(11)20(2)19-12;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-5-7(20-2)3-4-9(8)14;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-4-3-7(14)5-9(8)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(19-2)6-4-8;;;;;;;;/h5-6,8H,7H2,1-4H3,(H,18,23)(H2,17,19,20);3-7H,1-2H3,(H,18,21)(H2,15,16,17);5*3-6H,1-2H3,(H2,15,16,17);3-7H,1-2H3,(H2,14,15,16);8*1H4
• InChIKey: NTNNRUIGOPCHFJ-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 679.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 50
• Rotatable Bonds: 17
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2442.09
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159881114) is N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1Cl.COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1F.COc1cc(Cl)cc(-c2nn(C)c3ncnc(N)c23)c1.COc1cc(F)ccc1-c1nn(C)c2ncnc(N)c12.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1.COc1ccc(Cl)c(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c(N)ncnc21.

What is the InChIKey of N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is NTNNRUIGOPCHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S.C14H14N6O.3C13H12ClN5O.2C13H12FN5O.C13H13N5O.8CH4/c1-16(2,3)24-15(23)18-7-9-5-6-10(25-9)12-11-13(17)19-8-20-14(11)22(4)21-12;1-8(21)18-10-5-3-9(4-6-10)12-11-13(15)16-7-17-14(11)20(2)19-12;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-8(14)5-9(4-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-5-7(20-2)3-4-9(8)14;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)8-4-3-7(14)5-9(8)20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-8(14)9(5-7)20-2;1-18-13-10(12(14)15-7-16-13)11(17-18)8-3-5-9(19-2)6-4-8;;;;;;;;/h5-6,8H,7H2,1-4H3,(H,18,23)(H2,17,19,20);3-7H,1-2H3,(H,18,21)(H2,15,16,17);5*3-6H,1-2H3,(H2,15,16,17);3-7H,1-2H3,(H2,14,15,16);8*1H4.

What are the key properties of N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2442.09 g/mol, XLogP of 21.32, 17 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetamide;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methyl]carbamate;3-(2-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-5-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-chloro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159881114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).