1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C99H85Cl3N38O5S — CID 159996816

About 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159996816) has the molecular formula C99H85Cl3N38O5S and a molecular weight of 2025.46 g/mol. Its IUPAC name is 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159996816
• Molecular Formula: C99H85Cl3N38O5S
• Molecular Weight: 2025.46 g/mol
• Exact Mass: 2022.64
• IUPAC Name: 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CCC(=O)c1cc(-n2ncc3c(N)ncnc32)ccc1Cl.CCC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nc1.COC(=O)c1cc(-n2ncc3c(N)ncnc32)ccc1Cl.Cc1cc(-n2ncc3c(N)ncnc32)ccc1Oc1ccccc1.Cc1cc(-n2ncc3c(N)ncnc32)ccc1Sc1ccccc1.Nc1ncnc2c1cnn2-c1ccc(Cl)cn1
• InChI: InChI=1S/C18H15N5O.C18H15N5S.C14H12ClN5O.C14H13N5O.C13H10ClN5O2.C12H13N7.C10H7ClN6/c2*1-12-9-13(7-8-16(12)24-14-5-3-2-4-6-14)23-18-15(10-22-23)17(19)20-11-21-18;1-2-12(21)9-5-8(3-4-11(9)15)20-14-10(6-19-20)13(16)17-7-18-14;1-2-12(20)9-4-3-5-10(6-9)19-14-11(7-18-19)13(15)16-8-17-14;1-21-13(20)8-4-7(2-3-10(8)14)19-12-9(5-18-19)11(15)16-6-17-12;1-18(2)8-3-4-10(14-5-8)19-12-9(6-17-19)11(13)15-7-16-12;11-6-1-2-8(13-3-6)17-10-7(4-16-17)9(12)14-5-15-10/h2*2-11H,1H3,(H2,19,20,21);3-7H,2H2,1H3,(H2,16,17,18);3-8H,2H2,1H3,(H2,15,16,17);2-6H,1H3,(H2,15,16,17);3-7H,1-2H3,(H2,13,15,16);1-5H,(H2,12,14,15)
• InChIKey: OHQIAOBWTVRRRD-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 586.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.46
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159996816) is 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(=O)c1cc(-n2ncc3c(N)ncnc32)ccc1Cl.CCC(=O)c1cccc(-n2ncc3c(N)ncnc32)c1.CN(C)c1ccc(-n2ncc3c(N)ncnc32)nc1.COC(=O)c1cc(-n2ncc3c(N)ncnc32)ccc1Cl.Cc1cc(-n2ncc3c(N)ncnc32)ccc1Oc1ccccc1.Cc1cc(-n2ncc3c(N)ncnc32)ccc1Sc1ccccc1.Nc1ncnc2c1cnn2-c1ccc(Cl)cn1.

What is the InChIKey of 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is OHQIAOBWTVRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.C18H15N5S.C14H12ClN5O.C14H13N5O.C13H10ClN5O2.C12H13N7.C10H7ClN6/c2*1-12-9-13(7-8-16(12)24-14-5-3-2-4-6-14)23-18-15(10-22-23)17(19)20-11-21-18;1-2-12(21)9-5-8(3-4-11(9)15)20-14-10(6-19-20)13(16)17-7-18-14;1-2-12(20)9-4-3-5-10(6-9)19-14-11(7-18-19)13(15)16-8-17-14;1-21-13(20)8-4-7(2-3-10(8)14)19-12-9(5-18-19)11(15)16-6-17-12;1-18(2)8-3-4-10(14-5-8)19-12-9(6-17-19)11(13)15-7-16-12;11-6-1-2-8(13-3-6)17-10-7(4-16-17)9(12)14-5-15-10/h2*2-11H,1H3,(H2,19,20,21);3-7H,2H2,1H3,(H2,16,17,18);3-8H,2H2,1H3,(H2,15,16,17);2-6H,1H3,(H2,15,16,17);3-7H,1-2H3,(H2,13,15,16);1-5H,(H2,12,14,15).

What are the key properties of 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2025.46 g/mol, XLogP of 16.13, 17 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorophenyl]propan-1-one;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propan-1-one;1-(5-chloro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[5-(dimethylamino)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine;methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate;1-(3-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methyl-4-phenylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159996816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).