3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol

C151H137F6N25O19S2 — CID 158015339

About 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol

3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol (PubChem CID 158015339) has the molecular formula C151H137F6N25O19S2 and a molecular weight of 2784.03 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol
• PubChem CID: 158015339
• Molecular Formula: C151H137F6N25O19S2
• Molecular Weight: 2784.03 g/mol
• Exact Mass: 2781.99
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol
• SMILES: COc1cc(-c2[nH]nc3nccc(-c4ccc(C(C)C)cc4)c23)cc(CO)c1CO.COc1cc(-c2[nH]nc3nccc(-c4cccc(C(=O)NCCN(C)C)c4)c23)cc(OC)c1OC.COc1cc(-c2ccnc3n[nH]c(-c4cccc(CS(C)(=O)=O)c4)c23)cc(CO)c1OC.COc1ccc(-c2ccnc3n[nH]c(-c4cccnc4)c23)cc1OC.FC(F)(F)c1cccc(-c2ccnc3n[nH]c(-c4ccc5c(c4)OCO5)c23)c1.OCCNC(O)c1cccc(-c2[nH]nc3nccc(-c4cccc(C(F)(F)F)c4)c23)c1.OCc1ccccc1-c1[nH]nc2nccc(-c3ccsc3)c12
• InChI: InChI=1S/C26H29N5O4.C24H25N3O3.C23H23N3O5S.C22H19F3N4O2.C20H12F3N3O2.C19H16N4O2.C17H13N3OS/c1-31(2)12-11-28-26(32)17-8-6-7-16(13-17)19-9-10-27-25-22(19)23(29-30-25)18-14-20(33-3)24(35-5)21(15-18)34-4;1-14(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;1-30-19-11-16(10-17(12-27)22(19)31-2)18-7-8-24-23-20(18)21(25-26-23)15-6-4-5-14(9-15)13-32(3,28)29;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;21-20(22,23)13-3-1-2-11(8-13)14-6-7-24-19-17(14)18(25-26-19)12-4-5-15-16(9-12)28-10-27-15;1-24-15-6-5-12(10-16(15)25-2)14-7-9-21-19-17(14)18(22-23-19)13-4-3-8-20-11-13;21-9-11-3-1-2-4-14(11)16-15-13(12-6-8-22-10-12)5-7-18-17(15)20-19-16/h6-10,13-15H,11-12H2,1-5H3,(H,28,32)(H,27,29,30);4-11,14,28-29H,12-13H2,1-3H3,(H,25,26,27);4-11,27H,12-13H2,1-3H3,(H,24,25,26);1-8,11-12,21,27,30-31H,9-10H2,(H,26,28,29);1-9H,10H2,(H,24,25,26);3-11H,1-2H3,(H,21,22,23);1-8,10,21H,9H2,(H,18,19,20)
• InChIKey: FFJVMBXLWFEKRO-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 596.07 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2784.03
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

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 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol (CID 158015339) is 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol is COc1cc(-c2[nH]nc3nccc(-c4ccc(C(C)C)cc4)c23)cc(CO)c1CO.COc1cc(-c2[nH]nc3nccc(-c4cccc(C(=O)NCCN(C)C)c4)c23)cc(OC)c1OC.COc1cc(-c2ccnc3n[nH]c(-c4cccc(CS(C)(=O)=O)c4)c23)cc(CO)c1OC.COc1ccc(-c2ccnc3n[nH]c(-c4cccnc4)c23)cc1OC.FC(F)(F)c1cccc(-c2ccnc3n[nH]c(-c4ccc5c(c4)OCO5)c23)c1.OCCNC(O)c1cccc(-c2[nH]nc3nccc(-c4cccc(C(F)(F)F)c4)c23)c1.OCc1ccccc1-c1[nH]nc2nccc(-c3ccsc3)c12.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol?

The InChIKey is FFJVMBXLWFEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4.C24H25N3O3.C23H23N3O5S.C22H19F3N4O2.C20H12F3N3O2.C19H16N4O2.C17H13N3OS/c1-31(2)12-11-28-26(32)17-8-6-7-16(13-17)19-9-10-27-25-22(19)23(29-30-25)18-14-20(33-3)24(35-5)21(15-18)34-4;1-14(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;1-30-19-11-16(10-17(12-27)22(19)31-2)18-7-8-24-23-20(18)21(25-26-23)15-6-4-5-14(9-15)13-32(3,28)29;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;21-20(22,23)13-3-1-2-11(8-13)14-6-7-24-19-17(14)18(25-26-19)12-4-5-15-16(9-12)28-10-27-15;1-24-15-6-5-12(10-16(15)25-2)14-7-9-21-19-17(14)18(22-23-19)13-4-3-8-20-11-13;21-9-11-3-1-2-4-14(11)16-15-13(12-6-8-22-10-12)5-7-18-17(15)20-19-16/h6-10,13-15H,11-12H2,1-5H3,(H,28,32)(H,27,29,30);4-11,14,28-29H,12-13H2,1-3H3,(H,25,26,27);4-11,27H,12-13H2,1-3H3,(H,24,25,26);1-8,11-12,21,27,30-31H,9-10H2,(H,26,28,29);1-9H,10H2,(H,24,25,26);3-11H,1-2H3,(H,21,22,23);1-8,10,21H,9H2,(H,18,19,20).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol?

3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol has a molecular weight of 2784.03 g/mol, XLogP of 27.84, 37 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;[2,3-dimethoxy-5-[3-[3-(methylsulfonylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methanol;4-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[2-(dimethylamino)ethyl]-3-[3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide;[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;[2-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]methanol is sourced from PubChem (CID 158015339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).