3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine

C165H155F7N38O8S8 — CID 162191107

IUPAC3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
SMILESCN1CCN(c2ccc(F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2ccc(OC(F)(F)F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2cccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCOCC1.COc1ccccc1-c1[nH]nc2nccc(-c3csc(C)n3)c12.FC(F)(F)Oc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.c1cc(Nc2[nH]nc3nccc(-c4ccsc4)c23)cc(N2CCOCC2)c1
InChIInChI=1S/C22H20F3N5OS.C22H23N5OS.C21H17F3N4O2S.C21H20FN5S.C21H22N6S.C21H20N4O2S.C20H19N5OS.C17H14N4OS/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;1-26-8-10-27(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;22-21(23,24)30-17-2-1-14(28-6-8-29-9-7-28)11-16(17)19-18-15(13-4-10-31-12-13)3-5-25-20(18)27-26-19;1-26-7-9-27(10-8-26)15-2-3-18(22)17(12-15)20-19-16(14-5-11-28-13-14)4-6-23-21(19)25-24-20;1-26-8-10-27(11-9-26)17-4-2-3-16(13-17)23-21-19-18(15-6-12-28-14-15)5-7-22-20(19)24-25-21;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;1-2-15(12-16(3-1)25-7-9-26-10-8-25)22-20-18-17(14-5-11-27-13-14)4-6-21-19(18)23-24-20;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/h2-6,11-13H,7-10H2,1H3,(H,26,27,28);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25);1-5,10-12H,6-9H2,(H,25,26,27);2-6,11-13H,7-10H2,1H3,(H,23,24,25);2-7,12-14H,8-11H2,1H3,(H2,22,23,24,25);2-6,11-13H,7-10H2,1H3,(H,22,23,24);1-6,11-13H,7-10H2,(H2,21,22,23,24);3-9H,1-2H3,(H,18,20,21)
InChIKeyZQHSDTUMPXHFCU-UHFFFAOYSA-N
MW3187.83 g/mol
LogP35.16
Rot. Bonds30

About 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine

3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine (PubChem CID 162191107) has the molecular formula C165H155F7N38O8S8 and a molecular weight of 3187.83 g/mol. Its IUPAC name is 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
PubChem CID162191107
Molecular FormulaC165H155F7N38O8S8
Molecular Weight3187.83 g/mol
Exact Mass3185.05
IUPAC Name3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
SMILESCN1CCN(c2ccc(F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2ccc(OC(F)(F)F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2cccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCOCC1.COc1ccccc1-c1[nH]nc2nccc(-c3csc(C)n3)c12.FC(F)(F)Oc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.c1cc(Nc2[nH]nc3nccc(-c4ccsc4)c23)cc(N2CCOCC2)c1
InChIInChI=1S/C22H20F3N5OS.C22H23N5OS.C21H17F3N4O2S.C21H20FN5S.C21H22N6S.C21H20N4O2S.C20H19N5OS.C17H14N4OS/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;1-26-8-10-27(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;22-21(23,24)30-17-2-1-14(28-6-8-29-9-7-28)11-16(17)19-18-15(13-4-10-31-12-13)3-5-25-20(18)27-26-19;1-26-7-9-27(10-8-26)15-2-3-18(22)17(12-15)20-19-16(14-5-11-28-13-14)4-6-23-21(19)25-24-20;1-26-8-10-27(11-9-26)17-4-2-3-16(13-17)23-21-19-18(15-6-12-28-14-15)5-7-22-20(19)24-25-21;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;1-2-15(12-16(3-1)25-7-9-26-10-8-25)22-20-18-17(14-5-11-27-13-14)4-6-21-19(18)23-24-20;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/h2-6,11-13H,7-10H2,1H3,(H,26,27,28);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25);1-5,10-12H,6-9H2,(H,25,26,27);2-6,11-13H,7-10H2,1H3,(H,23,24,25);2-7,12-14H,8-11H2,1H3,(H2,22,23,24,25);2-6,11-13H,7-10H2,1H3,(H,22,23,24);1-6,11-13H,7-10H2,(H2,21,22,23,24);3-9H,1-2H3,(H,18,20,21)
InChIKeyZQHSDTUMPXHFCU-UHFFFAOYSA-N
XLogP35.16
TPSA478.99 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds30
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003187.83
LogP ≤ 535.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine?
The IUPAC name of 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine (CID 162191107) is 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine?
The canonical SMILES for 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine is CN1CCN(c2ccc(F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2ccc(OC(F)(F)F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2cccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCN(C)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)cc1N1CCOCC1.COc1ccccc1-c1[nH]nc2nccc(-c3csc(C)n3)c12.FC(F)(F)Oc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.c1cc(Nc2[nH]nc3nccc(-c4ccsc4)c23)cc(N2CCOCC2)c1.
What is the InChIKey of 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine?
The InChIKey is ZQHSDTUMPXHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5OS.C22H23N5OS.C21H17F3N4O2S.C21H20FN5S.C21H22N6S.C21H20N4O2S.C20H19N5OS.C17H14N4OS/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;1-26-8-10-27(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;22-21(23,24)30-17-2-1-14(28-6-8-29-9-7-28)11-16(17)19-18-15(13-4-10-31-12-13)3-5-25-20(18)27-26-19;1-26-7-9-27(10-8-26)15-2-3-18(22)17(12-15)20-19-16(14-5-11-28-13-14)4-6-23-21(19)25-24-20;1-26-8-10-27(11-9-26)17-4-2-3-16(13-17)23-21-19-18(15-6-12-28-14-15)5-7-22-20(19)24-25-21;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;1-2-15(12-16(3-1)25-7-9-26-10-8-25)22-20-18-17(14-5-11-27-13-14)4-6-21-19(18)23-24-20;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/h2-6,11-13H,7-10H2,1H3,(H,26,27,28);3-7,12-14H,8-11H2,1-2H3,(H,23,24,25);1-5,10-12H,6-9H2,(H,25,26,27);2-6,11-13H,7-10H2,1H3,(H,23,24,25);2-7,12-14H,8-11H2,1H3,(H2,22,23,24,25);2-6,11-13H,7-10H2,1H3,(H,22,23,24);1-6,11-13H,7-10H2,(H2,21,22,23,24);3-9H,1-2H3,(H,18,20,21).
What are the key properties of 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine?
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine has a molecular weight of 3187.83 g/mol, XLogP of 35.16, 30 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;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;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 162191107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).