2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C120H113N21O10 — CID 159028115

About 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159028115) has the molecular formula C120H113N21O10 and a molecular weight of 2009.36 g/mol. Its IUPAC name is 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159028115
• Molecular Formula: C120H113N21O10
• Molecular Weight: 2009.36 g/mol
• Exact Mass: 2007.90
• IUPAC Name: 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1ccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)cc1.COc1cccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)c1.Cc1ccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)cc1.N#Cc1ccccc1COc1cccc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)c1
• InChI: InChI=1S/C30H26N6O2.2C30H29N5O3.C30H29N5O2/c31-17-21-6-1-2-7-22(21)18-37-25-10-5-11-26(16-25)38-24-14-12-20(13-15-24)28-27-29(32)33-19-34-30(27)36(35-28)23-8-3-4-9-23;1-36-24-9-4-6-20(16-24)18-37-25-10-5-11-26(17-25)38-23-14-12-21(13-15-23)28-27-29(31)32-19-33-30(27)35(34-28)22-7-2-3-8-22;1-36-23-13-9-20(10-14-23)18-37-25-7-4-8-26(17-25)38-24-15-11-21(12-16-24)28-27-29(31)32-19-33-30(27)35(34-28)22-5-2-3-6-22;1-20-9-11-21(12-10-20)18-36-25-7-4-8-26(17-25)37-24-15-13-22(14-16-24)28-27-29(31)32-19-33-30(27)35(34-28)23-5-2-3-6-23/h1-2,5-7,10-16,19,23H,3-4,8-9,18H2,(H2,32,33,34);4-6,9-17,19,22H,2-3,7-8,18H2,1H3,(H2,31,32,33);4,7-17,19,22H,2-3,5-6,18H2,1H3,(H2,31,32,33);4,7-17,19,23H,2-3,5-6,18H2,1H3,(H2,31,32,33)
• InChIKey: JUNMWRIGYGRVLK-UHFFFAOYSA-N
• XLogP: 26.44
• TPSA: 394.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.36
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 159028115) is 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)cc1.COc1cccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)c1.Cc1ccc(COc2cccc(Oc3ccc(-c4nn(C5CCCC5)c5ncnc(N)c45)cc3)c2)cc1.N#Cc1ccccc1COc1cccc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)c1.

What is the InChIKey of 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JUNMWRIGYGRVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2.2C30H29N5O3.C30H29N5O2/c31-17-21-6-1-2-7-22(21)18-37-25-10-5-11-26(16-25)38-24-14-12-20(13-15-24)28-27-29(32)33-19-34-30(27)36(35-28)23-8-3-4-9-23;1-36-24-9-4-6-20(16-24)18-37-25-10-5-11-26(17-25)38-23-14-12-21(13-15-23)28-27-29(31)32-19-33-30(27)35(34-28)22-7-2-3-8-22;1-36-23-13-9-20(10-14-23)18-37-25-7-4-8-26(17-25)38-24-15-11-21(12-16-24)28-27-29(31)32-19-33-30(27)35(34-28)22-5-2-3-6-22;1-20-9-11-21(12-10-20)18-36-25-7-4-8-26(17-25)37-24-15-13-22(14-16-24)28-27-29(31)32-19-33-30(27)35(34-28)23-5-2-3-6-23/h1-2,5-7,10-16,19,23H,3-4,8-9,18H2,(H2,32,33,34);4-6,9-17,19,22H,2-3,7-8,18H2,1H3,(H2,31,32,33);4,7-17,19,22H,2-3,5-6,18H2,1H3,(H2,31,32,33);4,7-17,19,23H,2-3,5-6,18H2,1H3,(H2,31,32,33).

What are the key properties of 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2009.36 g/mol, XLogP of 26.44, 30 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile;1-cyclopentyl-3-[4-[3-[(3-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methoxyphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-cyclopentyl-3-[4-[3-[(4-methylphenyl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159028115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).