6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
C123H136ClFN26O19 — CID 158511009
Data last refreshed: (MolForge compound catalog, from PubChem)
About 6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158511009) has the molecular formula C123H136ClFN26O19 and a molecular weight of 2337.05 g/mol. Its IUPAC name is 6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158511009 |
| Molecular Formula | C123H136ClFN26O19 |
| Molecular Weight | 2337.05 g/mol |
| Exact Mass | 2335.01 |
| IUPAC Name | 6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-[3-(dimethylamino)propylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[3-fluoro-4-(3-methoxypropylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-[3-(methylamino)propoxy]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide |
| SMILES | CNCCCOc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.COCCCNc1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCN(C)CC4)cc2)CC3)cc1.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NCCCN(C)C)cc2)CC3)cc1.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(OCCCC(C)=O)c(Cl)c2)CC3)cc1 |
| InChI | InChI=1S/C25H25ClN4O5.C25H28N6O3.C25H30N6O3.C24H26FN5O4.C24H27N5O4/c1-15(31)4-3-13-35-21-10-7-17(14-20(21)26)29-12-11-19-22(24(27)32)28-30(23(19)25(29)33)16-5-8-18(34-2)9-6-16;1-28-13-15-29(16-14-28)17-3-5-18(6-4-17)30-12-11-21-22(24(26)32)27-31(23(21)25(30)33)19-7-9-20(34-2)10-8-19;1-29(2)15-4-14-27-17-5-7-18(8-6-17)30-16-13-21-22(24(26)32)28-31(23(21)25(30)33)19-9-11-20(34-3)12-10-19;1-33-13-3-11-27-20-9-6-16(14-19(20)25)29-12-10-18-21(23(26)31)28-30(22(18)24(29)32)15-4-7-17(34-2)8-5-15;1-26-13-3-15-33-19-10-4-16(5-11-19)28-14-12-20-21(23(25)30)27-29(22(20)24(28)31)17-6-8-18(32-2)9-7-17/h5-10,14H,3-4,11-13H2,1-2H3,(H2,27,32);3-10H,11-16H2,1-2H3,(H2,26,32);5-12,27H,4,13-16H2,1-3H3,(H2,26,32);4-9,14,27H,3,10-13H2,1-2H3,(H2,26,31);4-11,26H,3,12-15H2,1-2H3,(H2,25,30) |
| InChIKey | HLAYYMPPGQEVEC-UHFFFAOYSA-N |
| XLogP | 13.01 |
| TPSA | 542.82 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 170 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2337.05 |
| LogP ≤ 5 | 13.01 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 158511009 — identifiers, structure, computed properties (public domain)
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