3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C91H102Cl2FN33O6 — CID 159998359

About 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159998359) has the molecular formula C91H102Cl2FN33O6 and a molecular weight of 1843.95 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159998359
• Molecular Formula: C91H102Cl2FN33O6
• Molecular Weight: 1843.95 g/mol
• Exact Mass: 1841.81
• IUPAC Name: 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.CNc1ncnc2c1ncn2C.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N5CCOCC5)c34)ccc12.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21
• InChI: InChI=1S/C19H22FN5O2.C18H19N7O.C16H17ClN6O.C16H19N5O.C15H16ClN5O.C7H9N5/c1-12(2)27-15-5-4-13(10-14(15)20)17-16-18(24(3)23-17)21-11-22-19(16)25-6-8-26-9-7-25;1-11-13-4-3-12(9-14(13)22-21-11)16-15-17(24(2)23-16)19-10-20-18(15)25-5-7-26-8-6-25;1-22-16-13(15(18)19-9-20-16)14(21-22)10-2-3-12(11(17)8-10)23-4-6-24-7-5-23;1-9(2)22-12-6-5-11(7-10(12)3)14-13-15(17)18-8-19-16(13)21(4)20-14;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8-6-5-7(10-3-9-6)12(2)4-11-5/h4-5,10-12H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3,(H,21,22);2-3,8-9H,4-7H2,1H3,(H2,18,19,20);5-9H,1-4H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);3-4H,1-2H3,(H,8,9,10)
• InChIKey: OHVLYXNBFBWBIZ-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 445.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.95
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159998359) is 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.CNc1ncnc2c1ncn2C.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N5CCOCC5)c34)ccc12.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21.

What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is OHVLYXNBFBWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2.C18H19N7O.C16H17ClN6O.C16H19N5O.C15H16ClN5O.C7H9N5/c1-12(2)27-15-5-4-13(10-14(15)20)17-16-18(24(3)23-17)21-11-22-19(16)25-6-8-26-9-7-25;1-11-13-4-3-12(9-14(13)22-21-11)16-15-17(24(2)23-16)19-10-20-18(15)25-5-7-26-8-6-25;1-22-16-13(15(18)19-9-20-16)14(21-22)10-2-3-12(11(17)8-10)23-4-6-24-7-5-23;1-9(2)22-12-6-5-11(7-10(12)3)14-13-15(17)18-8-19-16(13)21(4)20-14;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-8-6-5-7(10-3-9-6)12(2)4-11-5/h4-5,10-12H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3,(H,21,22);2-3,8-9H,4-7H2,1H3,(H2,18,19,20);5-9H,1-4H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);3-4H,1-2H3,(H,8,9,10).

What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1843.95 g/mol, XLogP of 13.11, 15 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159998359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).