2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C127H109N27O11S2 — CID 157107530

About 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157107530) has the molecular formula C127H109N27O11S2 and a molecular weight of 2253.58 g/mol. Its IUPAC name is 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 157107530
• Molecular Formula: C127H109N27O11S2
• Molecular Weight: 2253.58 g/mol
• Exact Mass: 2251.82
• IUPAC Name: 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1ccccc1COc1cccc(Oc2ccc(-c3nn(C)c4ncnc(N)c34)cc2)c1.Cc1ncc(COc2cccc(Oc3ccc(-c4nn(C)c5ncnc(N)c45)cc3)c2)s1.Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc21.Cn1nc(-c2ccc(Oc3cccc(OCc4cccs4)c3)cc2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1ccc(Oc3cccc(OCc4ccccc4)c3)cc1)nn2C1CCOCC1
• InChI: InChI=1S/C29H27N5O3.C26H20N6O2.C26H23N5O2.C23H20N6O2S.C23H19N5O2S/c30-28-26-27(33-34(29(26)32-19-31-28)22-13-15-35-16-14-22)21-9-11-23(12-10-21)37-25-8-4-7-24(17-25)36-18-20-5-2-1-3-6-20;1-32-26-23(25(28)29-16-30-26)24(31-32)18-9-11-20(12-10-18)34-21-7-4-5-17(13-21)15-33-22-8-3-2-6-19(22)14-27;1-17-6-3-4-7-19(17)15-32-21-8-5-9-22(14-21)33-20-12-10-18(11-13-20)24-23-25(27)28-16-29-26(23)31(2)30-24;1-14-25-11-19(32-14)12-30-17-4-3-5-18(10-17)31-16-8-6-15(7-9-16)21-20-22(24)26-13-27-23(20)29(2)28-21;1-28-23-20(22(24)25-14-26-23)21(27-28)15-7-9-16(10-8-15)30-18-5-2-4-17(12-18)29-13-19-6-3-11-31-19/h1-12,17,19,22H,13-16,18H2,(H2,30,31,32);2-13,16H,15H2,1H3,(H2,28,29,30);3-14,16H,15H2,1-2H3,(H2,27,28,29);3-11,13H,12H2,1-2H3,(H2,24,26,27);2-12,14H,13H2,1H3,(H2,24,25,26)
• InChIKey: AGLVEDAMKIXIDL-UHFFFAOYSA-N
• XLogP: 25.74
• TPSA: 486.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.58
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 157107530) is 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccccc1COc1cccc(Oc2ccc(-c3nn(C)c4ncnc(N)c34)cc2)c1.Cc1ncc(COc2cccc(Oc3ccc(-c4nn(C)c5ncnc(N)c45)cc3)c2)s1.Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc21.Cn1nc(-c2ccc(Oc3cccc(OCc4cccs4)c3)cc2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1ccc(Oc3cccc(OCc4ccccc4)c3)cc1)nn2C1CCOCC1.

What is the InChIKey of 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is AGLVEDAMKIXIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3.C26H20N6O2.C26H23N5O2.C23H20N6O2S.C23H19N5O2S/c30-28-26-27(33-34(29(26)32-19-31-28)22-13-15-35-16-14-22)21-9-11-23(12-10-21)37-25-8-4-7-24(17-25)36-18-20-5-2-1-3-6-20;1-32-26-23(25(28)29-16-30-26)24(31-32)18-9-11-20(12-10-18)34-21-7-4-5-17(13-21)15-33-22-8-3-2-6-19(22)14-27;1-17-6-3-4-7-19(17)15-32-21-8-5-9-22(14-21)33-20-12-10-18(11-13-20)24-23-25(27)28-16-29-26(23)31(2)30-24;1-14-25-11-19(32-14)12-30-17-4-3-5-18(10-17)31-16-8-6-15(7-9-16)21-20-22(24)26-13-27-23(20)29(2)28-21;1-28-23-20(22(24)25-14-26-23)21(27-28)15-7-9-16(10-8-15)30-18-5-2-4-17(12-18)29-13-19-6-3-11-31-19/h1-12,17,19,22H,13-16,18H2,(H2,30,31,32);2-13,16H,15H2,1H3,(H2,28,29,30);3-14,16H,15H2,1-2H3,(H2,27,28,29);3-11,13H,12H2,1-2H3,(H2,24,26,27);2-12,14H,13H2,1H3,(H2,24,25,26).

What are the key properties of 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2253.58 g/mol, XLogP of 25.74, 31 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenyl]methoxy]benzonitrile;1-methyl-3-[4-[3-[(2-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[4-[3-(thiophen-2-ylmethoxy)phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(oxan-4-yl)-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157107530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).