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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C120H118Cl3F3N46O10S — CID 158135810

About 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158135810) has the molecular formula C120H118Cl3F3N46O10S and a molecular weight of 2560.00 g/mol. Its IUPAC name is 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158135810
• Molecular Formula: C120H118Cl3F3N46O10S
• Molecular Weight: 2560.00 g/mol
• Exact Mass: 2556.89
• IUPAC Name: 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: 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)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.COc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c(N)ncnc21
• InChI: InChI=1S/C16H20N6O2S.3C13H12ClN5O.3C13H12FN5O.2C13H13N5O/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;1-19-13-10(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)7-3-8(14)5-9(4-7)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;1-18-13-10(12(14)15-7-16-13)11(17-18)8-4-3-5-9(6-8)19-2/h5-6,8H,7H2,1-4H3,(H,18,23)(H2,17,19,20);6*3-6H,1-2H3,(H2,15,16,17);2*3-7H,1-2H3,(H2,14,15,16)
• InChIKey: FTIIAGRALMKJBY-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 738.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 19
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.00
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 158135810) is 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is 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)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.COc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c(N)ncnc21.

What is the InChIKey of 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

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

What are the key properties of 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?

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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2560.00 g/mol, XLogP of 18.05, 19 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3-fluoro-5-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;3-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158135810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).