3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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

C109H103Cl4N43OS — CID 163510186

About 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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

3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 163510186) has the molecular formula C109H103Cl4N43OS and a molecular weight of 2205.20 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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: 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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: 163510186
• Molecular Formula: C109H103Cl4N43OS
• Molecular Weight: 2205.20 g/mol
• Exact Mass: 2201.78
• IUPAC Name: 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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: COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ccc(C)cc1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1ccc2c(Cl)ncnc21.Cn1ccc2nccc(Cl)c21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21.Cn1ncc2c(Cl)ccnc21.Cn1ncc2c(Cl)ncnc21
• InChI: InChI=1S/C17H15N5O.2C15H15N7.C14H11N5S.C12H13N7.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;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10;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);2*4-7H,1-3H3,(H2,16,17,18);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16);2-5H,1H3;3-6H,1-2H3;2*2-4H,1H3;2-3H,1H3
• InChIKey: DCBBZZAMCXAYAV-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 541.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 6
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2205.20
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 163510186) is 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1ccc(C)cc1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1ccc2c(Cl)ncnc21.Cn1ccc2nccc(Cl)c21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21.Cn1ncc2c(Cl)ccnc21.Cn1ncc2c(Cl)ncnc21.

What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 DCBBZZAMCXAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.2C15H15N7.C14H11N5S.C12H13N7.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;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10;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);2*4-7H,1-3H3,(H2,16,17,18);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16);2-5H,1H3;3-6H,1-2H3;2*2-4H,1H3;2-3H,1H3.

What are the key properties of 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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?

3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 2205.20 g/mol, XLogP of 19.03, 6 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;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-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-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 163510186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).