1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

C89H118N26O4 — CID 157398112

About 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine

1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 157398112) has the molecular formula C89H118N26O4 and a molecular weight of 1616.10 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 157398112
• Molecular Formula: C89H118N26O4
• Molecular Weight: 1616.10 g/mol
• Exact Mass: 1614.98
• IUPAC Name: 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: CCN(CC)CC(O)COc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.CCN(CC)CCCOc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.COCCCNCc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.c1ncn(-c2ccc(Nc3ncc4cnn(C5CCCCC5)c4n3)cc2)n1
• InChI: InChI=1S/C24H34N6O2.C24H34N6O.C22H30N6O.C19H20N8/c1-3-29(4-2)16-21(31)17-32-22-12-10-19(11-13-22)27-24-25-14-18-15-26-30(23(18)28-24)20-8-6-5-7-9-20;1-3-29(4-2)15-8-16-31-22-13-11-20(12-14-22)27-24-25-17-19-18-26-30(23(19)28-24)21-9-6-5-7-10-21;1-29-13-5-12-23-14-17-8-10-19(11-9-17)26-22-24-15-18-16-25-28(21(18)27-22)20-6-3-2-4-7-20;1-2-4-17(5-3-1)27-18-14(11-22-27)10-21-19(25-18)24-15-6-8-16(9-7-15)26-13-20-12-23-26/h10-15,20-21,31H,3-9,16-17H2,1-2H3,(H,25,27,28);11-14,17-18,21H,3-10,15-16H2,1-2H3,(H,25,27,28);8-11,15-16,20,23H,2-7,12-14H2,1H3,(H,24,26,27);6-13,17H,1-5H2,(H,21,24,25)
• InChIKey: BMUXZBIAYFBNSH-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 319.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1616.10
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 157398112) is 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine is CCN(CC)CC(O)COc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.CCN(CC)CCCOc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.COCCCNCc1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.c1ncn(-c2ccc(Nc3ncc4cnn(C5CCCCC5)c4n3)cc2)n1.

What is the InChIKey of 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is BMUXZBIAYFBNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.C24H34N6O.C22H30N6O.C19H20N8/c1-3-29(4-2)16-21(31)17-32-22-12-10-19(11-13-22)27-24-25-14-18-15-26-30(23(18)28-24)20-8-6-5-7-9-20;1-3-29(4-2)15-8-16-31-22-13-11-20(12-14-22)27-24-25-17-19-18-26-30(23(19)28-24)21-9-6-5-7-10-21;1-29-13-5-12-23-14-17-8-10-19(11-9-17)26-22-24-15-18-16-25-28(21(18)27-22)20-6-3-2-4-7-20;1-2-4-17(5-3-1)27-18-14(11-22-27)10-21-19(25-18)24-15-6-8-16(9-7-15)26-13-20-12-23-26/h10-15,20-21,31H,3-9,16-17H2,1-2H3,(H,25,27,28);11-14,17-18,21H,3-10,15-16H2,1-2H3,(H,25,27,28);8-11,15-16,20,23H,2-7,12-14H2,1H3,(H,24,26,27);6-13,17H,1-5H2,(H,21,24,25).

What are the key properties of 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine?

1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 1616.10 g/mol, XLogP of 17.20, 33 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-N-[4-[3-(diethylamino)propoxy]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclohexyl-N-[4-[(3-methoxypropylamino)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine;1-[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenoxy]-3-(diethylamino)propan-2-ol;1-cyclohexyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 157398112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).