6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C94H98Cl2FN33O7 — CID 161205204

About 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161205204) has the molecular formula C94H98Cl2FN33O7 and a molecular weight of 1891.95 g/mol. Its IUPAC name is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 161205204
• Molecular Formula: C94H98Cl2FN33O7
• Molecular Weight: 1891.95 g/mol
• Exact Mass: 1889.77
• IUPAC Name: 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;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.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2o1.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)C(=O)NC3)c2c(N)ncnc21
• InChI: InChI=1S/C19H22FN5O2.C16H17ClN6O.C16H19N5O.C15H16ClN5O.2C14H12N6O/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;1-22-16-13(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;1-7-18-9-4-3-8(5-10(9)21-7)12-11-13(15)16-6-17-14(11)20(2)19-12;1-20-13-10(12(15)17-6-18-13)11(19-20)7-2-3-8-5-16-14(21)9(8)4-7/h4-5,10-12H,6-9H2,1-3H3;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);3-6H,1-2H3,(H2,15,16,17);2-4,6H,5H2,1H3,(H,16,21)(H2,15,17,18)
• InChIKey: UVMSMZAPOBDMPQ-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 499.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.95
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 161205204) is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;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.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2o1.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)C(=O)NC3)c2c(N)ncnc21.

What is the InChIKey of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is UVMSMZAPOBDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2.C16H17ClN6O.C16H19N5O.C15H16ClN5O.2C14H12N6O/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;1-22-16-13(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;1-7-18-9-4-3-8(5-10(9)21-7)12-11-13(15)16-6-17-14(11)20(2)19-12;1-20-13-10(12(15)17-6-18-13)11(19-20)7-2-3-8-5-16-14(21)9(8)4-7/h4-5,10-12H,6-9H2,1-3H3;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);3-6H,1-2H3,(H2,15,16,17);2-4,6H,5H2,1H3,(H,16,21)(H2,15,17,18).

What are the key properties of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1891.95 g/mol, XLogP of 13.57, 14 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;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;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161205204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).