4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene

C110H101Cl4F4N39O3 — CID 158143182

About 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene

4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene (PubChem CID 158143182) has the molecular formula C110H101Cl4F4N39O3 and a molecular weight of 2235.09 g/mol. Its IUPAC name is 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene.

Molecular Properties

• Compound Name: 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene
• PubChem CID: 158143182
• Molecular Formula: C110H101Cl4F4N39O3
• Molecular Weight: 2235.09 g/mol
• Exact Mass: 2231.76
• IUPAC Name: 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene
• SMILES: CC1=CC(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc21.COc1c(F)cc(-c2nn(C)c3ncnc(N)c23)cc1F.COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ccc(C)cc1.Cn1ccc2c(Cl)ncnc21.Cn1ccc2nccc(Cl)c21.Cn1nc(-c2cc(F)c(O)c(F)c2)c2c(N)ncnc21.Cn1ncc2c(Cl)ccnc21.Cn1ncc2c(Cl)ncnc21
• InChI: InChI=1S/C17H15N5O.C17H17N5.C15H15N7.C13H11F2N5O.C12H9F2N5O.C8H7ClN2.C8H10.2C7H6ClN3.C6H5ClN4/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-9-6-10(2)13-7-11(4-5-12(9)13)15-14-16(18)19-8-20-17(14)22(3)21-15;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-20-13-9(12(16)17-5-18-13)10(19-20)6-3-7(14)11(21-2)8(15)4-6;1-19-12-8(11(15)16-4-17-12)9(18-19)5-2-6(13)10(20)7(14)3-5;1-11-5-3-7-8(11)6(9)2-4-10-7;1-7-3-5-8(2)6-4-7;1-11-7-5(4-10-11)6(8)2-3-9-7;1-11-3-2-5-6(8)9-4-10-7(5)11;1-11-6-4(2-10-11)5(7)8-3-9-6/h3-9H,1-2H3,(H2,18,19,20);4-8,10H,1-3H3,(H2,18,19,20);4-7H,1-3H3,(H2,16,17,18);3-5H,1-2H3,(H2,16,17,18);2-4,20H,1H3,(H2,15,16,17);2-5H,1H3;3-6H,1-2H3;2*2-4H,1H3;2-3H,1H3
• InChIKey: FUESGPZYNMBNFT-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 527.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 7
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.09
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene?

The IUPAC name of 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene (CID 158143182) is 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene.

What is the SMILES notation for 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene?

The canonical SMILES for 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene is CC1=CC(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc21.COc1c(F)cc(-c2nn(C)c3ncnc(N)c23)cc1F.COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ccc(C)cc1.Cn1ccc2c(Cl)ncnc21.Cn1ccc2nccc(Cl)c21.Cn1nc(-c2cc(F)c(O)c(F)c2)c2c(N)ncnc21.Cn1ncc2c(Cl)ccnc21.Cn1ncc2c(Cl)ncnc21.

What is the InChIKey of 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene?

The InChIKey is FUESGPZYNMBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.C17H17N5.C15H15N7.C13H11F2N5O.C12H9F2N5O.C8H7ClN2.C8H10.2C7H6ClN3.C6H5ClN4/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-9-6-10(2)13-7-11(4-5-12(9)13)15-14-16(18)19-8-20-17(14)22(3)21-15;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-20-13-9(12(16)17-5-18-13)10(19-20)6-3-7(14)11(21-2)8(15)4-6;1-19-12-8(11(15)16-4-17-12)9(18-19)5-2-6(13)10(20)7(14)3-5;1-11-5-3-7-8(11)6(9)2-4-10-7;1-7-3-5-8(2)6-4-7;1-11-7-5(4-10-11)6(8)2-3-9-7;1-11-3-2-5-6(8)9-4-10-7(5)11;1-11-6-4(2-10-11)5(7)8-3-9-6/h3-9H,1-2H3,(H2,18,19,20);4-8,10H,1-3H3,(H2,18,19,20);4-7H,1-3H3,(H2,16,17,18);3-5H,1-2H3,(H2,16,17,18);2-4,20H,1H3,(H2,15,16,17);2-5H,1H3;3-6H,1-2H3;2*2-4H,1H3;2-3H,1H3.

What are the key properties of 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene?

4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene has a molecular weight of 2235.09 g/mol, XLogP of 20.00, 7 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene is sourced from PubChem (CID 158143182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).