5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C100H131N29O2 — CID 157136991

About 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine

5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 157136991) has the molecular formula C100H131N29O2 and a molecular weight of 1771.35 g/mol. Its IUPAC name is 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 157136991
• Molecular Formula: C100H131N29O2
• Molecular Weight: 1771.35 g/mol
• Exact Mass: 1770.10
• IUPAC Name: 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: CCOCCCNCCc1cc(-c2ccccc2C)nc2n[nH]c(N)c12.Cc1ccccc1-c1cc(CCN2CCN(C)CC2)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCCCCO)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCCN(C)C)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCc2cnc[nH]2)c2c(N)[nH]nc2n1
• InChI: InChI=1S/C20H23N7.C20H26N6.C20H28N6.2C20H27N5O/c1-13-4-2-3-5-16(13)17-10-14(18-19(21)26-27-20(18)25-17)6-8-22-9-7-15-11-23-12-24-15;1-14-5-3-4-6-16(14)17-13-15(18-19(21)23-24-20(18)22-17)7-8-26-11-9-25(2)10-12-26;1-14-7-4-5-8-16(14)17-13-15(9-11-22-10-6-12-26(2)3)18-19(21)24-25-20(18)23-17;1-14-7-3-4-8-16(14)17-13-15(9-11-22-10-5-2-6-12-26)18-19(21)24-25-20(18)23-17;1-3-26-12-6-10-22-11-9-15-13-17(16-8-5-4-7-14(16)2)23-20-18(15)19(21)24-25-20/h2-5,10-12,22H,6-9H2,1H3,(H,23,24)(H3,21,25,26,27);3-6,13H,7-12H2,1-2H3,(H3,21,22,23,24);4-5,7-8,13,22H,6,9-12H2,1-3H3,(H3,21,23,24,25);3-4,7-8,13,22,26H,2,5-6,9-12H2,1H3,(H3,21,23,24,25);4-5,7-8,13,22H,3,6,9-12H2,1-2H3,(H3,21,23,24,25)
• InChIKey: AJSUDAUUEFDFHH-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 453.93 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.35
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The IUPAC name of 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 157136991) is 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

What is the SMILES notation for 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The canonical SMILES for 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine is CCOCCCNCCc1cc(-c2ccccc2C)nc2n[nH]c(N)c12.Cc1ccccc1-c1cc(CCN2CCN(C)CC2)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCCCCO)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCCN(C)C)c2c(N)[nH]nc2n1.Cc1ccccc1-c1cc(CCNCCc2cnc[nH]2)c2c(N)[nH]nc2n1.

What is the InChIKey of 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The InChIKey is AJSUDAUUEFDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7.C20H26N6.C20H28N6.2C20H27N5O/c1-13-4-2-3-5-16(13)17-10-14(18-19(21)26-27-20(18)25-17)6-8-22-9-7-15-11-23-12-24-15;1-14-5-3-4-6-16(14)17-13-15(18-19(21)23-24-20(18)22-17)7-8-26-11-9-25(2)10-12-26;1-14-7-4-5-8-16(14)17-13-15(9-11-22-10-6-12-26(2)3)18-19(21)24-25-20(18)23-17;1-14-7-3-4-8-16(14)17-13-15(9-11-22-10-5-2-6-12-26)18-19(21)24-25-20(18)23-17;1-3-26-12-6-10-22-11-9-15-13-17(16-8-5-4-7-14(16)2)23-20-18(15)19(21)24-25-20/h2-5,10-12,22H,6-9H2,1H3,(H,23,24)(H3,21,25,26,27);3-6,13H,7-12H2,1-2H3,(H3,21,22,23,24);4-5,7-8,13,22H,6,9-12H2,1-3H3,(H3,21,23,24,25);3-4,7-8,13,22,26H,2,5-6,9-12H2,1H3,(H3,21,23,24,25);4-5,7-8,13,22H,3,6,9-12H2,1-2H3,(H3,21,23,24,25).

What are the key properties of 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1771.35 g/mol, XLogP of 13.40, 37 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethylamino]pentan-1-ol;N-[2-[3-amino-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine;4-[2-(3-ethoxypropylamino)ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 157136991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).