N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

C128H115F6N21O15 — CID 161227505

About N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (PubChem CID 161227505) has the molecular formula C128H115F6N21O15 and a molecular weight of 2301.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
• PubChem CID: 161227505
• Molecular Formula: C128H115F6N21O15
• Molecular Weight: 2301.45 g/mol
• Exact Mass: 2299.88
• IUPAC Name: N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
• SMILES: COc1cc(-c2[nH]nc3nccc(-c4ccc(C(C)C)cc4)c23)cc(CO)c1CO.COc1cc(-c2[nH]nc3nccc(-c4cccc(C(N)=O)c4)c23)cc(OC)c1OC.COc1cc(-c2[nH]nc3nccc(-c4cccc(N(C)C)c4)c23)cc(OC)c1OC.COc1cccc(-c2ccnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)c1.COc1ccccc1-c1[nH]nc2nccc(-c3ccoc3)c12.OCCNC(O)c1cccc(-c2[nH]nc3nccc(-c4cccc(C(F)(F)F)c4)c23)c1
• InChI: InChI=1S/C24H25N3O3.C23H24N4O3.C22H19F3N4O2.C22H20N4O4.C20H14F3N3O.C17H13N3O2/c1-14(2)15-4-6-16(7-5-15)19-8-9-25-24-22(19)23(26-27-24)17-10-18(12-28)20(13-29)21(11-17)30-3;1-27(2)16-8-6-7-14(11-16)17-9-10-24-23-20(17)21(25-26-23)15-12-18(28-3)22(30-5)19(13-15)29-4;23-22(24,25)16-6-2-3-13(12-16)17-7-8-26-20-18(17)19(28-29-20)14-4-1-5-15(11-14)21(31)27-9-10-30;1-28-16-10-14(11-17(29-2)20(16)30-3)19-18-15(7-8-24-22(18)26-25-19)12-5-4-6-13(9-12)21(23)27;1-27-15-7-3-4-12(11-15)16-8-9-24-19-17(16)18(25-26-19)13-5-2-6-14(10-13)20(21,22)23;1-21-14-5-3-2-4-13(14)16-15-12(11-7-9-22-10-11)6-8-18-17(15)20-19-16/h4-11,14,28-29H,12-13H2,1-3H3,(H,25,26,27);6-13H,1-5H3,(H,24,25,26);1-8,11-12,21,27,30-31H,9-10H2,(H,26,28,29);4-11H,1-3H3,(H2,23,27)(H,24,25,26);2-11H,1H3,(H,24,25,26);2-10H,1H3,(H,18,19,20)
• InChIKey: UYHYGOIPOZXBOD-UHFFFAOYSA-N
• XLogP: 25.31
• TPSA: 484.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.45
LogP ≤ 5	25.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?

The IUPAC name of N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (CID 161227505) is N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.

What is the SMILES notation for N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?

The canonical SMILES for N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is COc1cc(-c2[nH]nc3nccc(-c4ccc(C(C)C)cc4)c23)cc(CO)c1CO.COc1cc(-c2[nH]nc3nccc(-c4cccc(C(N)=O)c4)c23)cc(OC)c1OC.COc1cc(-c2[nH]nc3nccc(-c4cccc(N(C)C)c4)c23)cc(OC)c1OC.COc1cccc(-c2ccnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)c1.COc1ccccc1-c1[nH]nc2nccc(-c3ccoc3)c12.OCCNC(O)c1cccc(-c2[nH]nc3nccc(-c4cccc(C(F)(F)F)c4)c23)c1.

What is the InChIKey of N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?

The InChIKey is UYHYGOIPOZXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C23H24N4O3.C22H19F3N4O2.C22H20N4O4.C20H14F3N3O.C17H13N3O2/c1-14(2)15-4-6-16(7-5-15)19-8-9-25-24-22(19)23(26-27-24)17-10-18(12-28)20(13-29)21(11-17)30-3;1-27(2)16-8-6-7-14(11-16)17-9-10-24-23-20(17)21(25-26-23)15-12-18(28-3)22(30-5)19(13-15)29-4;23-22(24,25)16-6-2-3-13(12-16)17-7-8-26-20-18(17)19(28-29-20)14-4-1-5-15(11-14)21(31)27-9-10-30;1-28-16-10-14(11-17(29-2)20(16)30-3)19-18-15(7-8-24-22(18)26-25-19)12-5-4-6-13(9-12)21(23)27;1-27-15-7-3-4-12(11-15)16-8-9-24-19-17(16)18(25-26-19)13-5-2-6-14(10-13)20(21,22)23;1-21-14-5-3-2-4-13(14)16-15-12(11-7-9-22-10-11)6-8-18-17(15)20-19-16/h4-11,14,28-29H,12-13H2,1-3H3,(H,25,26,27);6-13H,1-5H3,(H,24,25,26);1-8,11-12,21,27,30-31H,9-10H2,(H,26,28,29);4-11H,1-3H3,(H2,23,27)(H,24,25,26);2-11H,1H3,(H,24,25,26);2-10H,1H3,(H,18,19,20).

What are the key properties of N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?

N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide has a molecular weight of 2301.45 g/mol, XLogP of 25.31, 30 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]aniline;4-(furan-3-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;[2-(hydroxymethyl)-3-methoxy-5-[4-(4-propan-2-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methanol;2-[[hydroxy-[3-[4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]methyl]amino]ethanol;4-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 161227505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).