3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

C141H132ClF3N32O8S7 — CID 160959813

About 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine

3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 160959813) has the molecular formula C141H132ClF3N32O8S7 and a molecular weight of 2719.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 160959813
• Molecular Formula: C141H132ClF3N32O8S7
• Molecular Weight: 2719.74 g/mol
• Exact Mass: 2716.86
• IUPAC Name: 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: CN1CCN(c2ccc(OC(F)(F)F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCOCC1.COc1ccc(-c2[nH]nc3nccc(-c4csc(C)n4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4csc(C)n4)c23)cc1N1CCOCC1.COc1ccccc1-c1[nH]nc2nccc(-c3csc(C)n3)c12.Clc1cccc(-c2[nH]nc3nccc(-c4ccsc4)c23)c1
• InChI: InChI=1S/C22H20F3N5OS.C22H24N6OS.C22H23N5OS.C21H21N5O2S.C21H20N4O2S.C17H14N4OS.C16H10ClN3S/c1-29-7-9-30(10-8-29)15-2-3-18(31-22(23,24)25)17(12-15)20-19-16(14-5-11-32-13-14)4-6-26-21(19)28-27-20;1-14-24-17(13-30-14)16-6-7-23-22-20(16)21(25-26-22)15-4-5-19(29-3)18(12-15)28-10-8-27(2)9-11-28;1-26-8-10-27(11-9-26)18-13-15(3-4-19(18)28-2)21-20-17(16-6-12-29-14-16)5-7-23-22(20)25-24-21;1-13-23-16(12-29-13)15-5-6-22-21-19(15)20(24-25-21)14-3-4-18(27-2)17(11-14)26-7-9-28-10-8-26;1-26-18-3-2-14(12-17(18)25-7-9-27-10-8-25)20-19-16(15-5-11-28-13-15)4-6-22-21(19)24-23-20;1-10-19-13(9-23-10)11-7-8-18-17-15(11)16(20-21-17)12-5-3-4-6-14(12)22-2;17-12-3-1-2-10(8-12)15-14-13(11-5-7-21-9-11)4-6-18-16(14)20-19-15/h2-6,11-13H,7-10H2,1H3,(H,26,27,28);4-7,12-13H,8-11H2,1-3H3,(H,23,25,26);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25);3-6,11-12H,7-10H2,1-2H3,(H,22,24,25);2-6,11-13H,7-10H2,1H3,(H,22,23,24);3-9H,1-2H3,(H,18,20,21);1-9H,(H,18,19,20)
• InChIKey: SWWFURXZIOSGFB-UHFFFAOYSA-N
• XLogP: 30.11
• TPSA: 429.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2719.74
LogP ≤ 5	30.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 160959813) is 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is CN1CCN(c2ccc(OC(F)(F)F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCOCC1.COc1ccc(-c2[nH]nc3nccc(-c4csc(C)n4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4csc(C)n4)c23)cc1N1CCOCC1.COc1ccccc1-c1[nH]nc2nccc(-c3csc(C)n3)c12.Clc1cccc(-c2[nH]nc3nccc(-c4ccsc4)c23)c1.

What is the InChIKey of 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is SWWFURXZIOSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5OS.C22H24N6OS.C22H23N5OS.C21H21N5O2S.C21H20N4O2S.C17H14N4OS.C16H10ClN3S/c1-29-7-9-30(10-8-29)15-2-3-18(31-22(23,24)25)17(12-15)20-19-16(14-5-11-32-13-14)4-6-26-21(19)28-27-20;1-14-24-17(13-30-14)16-6-7-23-22-20(16)21(25-26-22)15-4-5-19(29-3)18(12-15)28-10-8-27(2)9-11-28;1-26-8-10-27(11-9-26)18-13-15(3-4-19(18)28-2)21-20-17(16-6-12-29-14-16)5-7-23-22(20)25-24-21;1-13-23-16(12-29-13)15-5-6-22-21-19(15)20(24-25-21)14-3-4-18(27-2)17(11-14)26-7-9-28-10-8-26;1-26-18-3-2-14(12-17(18)25-7-9-27-10-8-25)20-19-16(15-5-11-28-13-15)4-6-22-21(19)24-23-20;1-10-19-13(9-23-10)11-7-8-18-17-15(11)16(20-21-17)12-5-3-4-6-14(12)22-2;17-12-3-1-2-10(8-12)15-14-13(11-5-7-21-9-11)4-6-18-16(14)20-19-15/h2-6,11-13H,7-10H2,1H3,(H,26,27,28);4-7,12-13H,8-11H2,1-3H3,(H,23,25,26);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25);3-6,11-12H,7-10H2,1-2H3,(H,22,24,25);2-6,11-13H,7-10H2,1H3,(H,22,23,24);3-9H,1-2H3,(H,18,20,21);1-9H,(H,18,19,20).

What are the key properties of 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine?

3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2719.74 g/mol, XLogP of 30.11, 25 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[2-methoxy-5-[4-(2-methyl-1,3-thiazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]phenyl]morpholine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 160959813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).