4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
C125H135Cl8F3N24O8 — CID 159627809
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21.COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C)cc3)cnc21.Cc1nn(C2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C23H27ClN4O.C22H27ClN4O2.C21H20ClF3N4O.C20H20Cl2N4O.C20H23ClN4O2.C19H18Cl2N4O/c1-14(2)16-9-11-17(12-10-16)26-23(29)19-13-25-22-20(21(19)24)15(3)27-28(22)18-7-5-4-6-8-18;1-14(2)16-7-9-17(10-8-16)25-22(28)18-13-24-21-19(20(18)23)15(3)26-27(21)11-5-6-12-29-4;1-12-17-18(22)16(11-26-19(17)29(28-12)15-5-3-2-4-6-15)20(30)27-14-9-7-13(8-10-14)21(23,24)25;1-12-17-18(22)16(20(27)24-14-9-7-13(21)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15;1-13-6-8-15(9-7-13)23-20(26)16-12-22-19-17(18(16)21)14(2)24-25(19)10-4-5-11-27-3;1-11-16-17(21)15(19(26)23-13-8-6-12(20)7-9-13)10-22-18(16)25(24-11)14-4-2-3-5-14/h9-14,18H,4-8H2,1-3H3,(H,26,29);7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,28);7-11,15H,2-6H2,1H3,(H,27,30);7-11,15H,2-6H2,1H3,(H,24,27);6-9,12H,4-5,10-11H2,1-3H3,(H,23,26);6-10,14H,2-5H2,1H3,(H,23,26)
InChIKeyMOSOKCXCWPVWMJ-UHFFFAOYSA-N
MW2442.23 g/mol
LogP33.24
Rot. Bonds28
About 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 159627809) has the molecular formula C125H135Cl8F3N24O8 and a molecular weight of 2442.23 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
Molecular Properties
| Compound Name | 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide |
|---|---|
| PubChem CID | 159627809 |
| Molecular Formula | C125H135Cl8F3N24O8 |
| Molecular Weight | 2442.23 g/mol |
| Exact Mass | 2436.84 |
| IUPAC Name | 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide |
| SMILES | COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21.COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C)cc3)cnc21.Cc1nn(C2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12 |
| InChI | InChI=1S/C23H27ClN4O.C22H27ClN4O2.C21H20ClF3N4O.C20H20Cl2N4O.C20H23ClN4O2.C19H18Cl2N4O/c1-14(2)16-9-11-17(12-10-16)26-23(29)19-13-25-22-20(21(19)24)15(3)27-28(22)18-7-5-4-6-8-18;1-14(2)16-7-9-17(10-8-16)25-22(28)18-13-24-21-19(20(18)23)15(3)26-27(21)11-5-6-12-29-4;1-12-17-18(22)16(11-26-19(17)29(28-12)15-5-3-2-4-6-15)20(30)27-14-9-7-13(8-10-14)21(23,24)25;1-12-17-18(22)16(20(27)24-14-9-7-13(21)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15;1-13-6-8-15(9-7-13)23-20(26)16-12-22-19-17(18(16)21)14(2)24-25(19)10-4-5-11-27-3;1-11-16-17(21)15(19(26)23-13-8-6-12(20)7-9-13)10-22-18(16)25(24-11)14-4-2-3-5-14/h9-14,18H,4-8H2,1-3H3,(H,26,29);7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,28);7-11,15H,2-6H2,1H3,(H,27,30);7-11,15H,2-6H2,1H3,(H,24,27);6-9,12H,4-5,10-11H2,1-3H3,(H,23,26);6-10,14H,2-5H2,1H3,(H,23,26) |
| InChIKey | MOSOKCXCWPVWMJ-UHFFFAOYSA-N |
| XLogP | 33.24 |
| TPSA | 377.32 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 168 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2442.23 |
| LogP ≤ 5 | 33.24 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 159627809) is 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)cnc21.COCCCCn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(C)cc3)cnc21.Cc1nn(C2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1nn(C2CCCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MOSOKCXCWPVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O.C22H27ClN4O2.C21H20ClF3N4O.C20H20Cl2N4O.C20H23ClN4O2.C19H18Cl2N4O/c1-14(2)16-9-11-17(12-10-16)26-23(29)19-13-25-22-20(21(19)24)15(3)27-28(22)18-7-5-4-6-8-18;1-14(2)16-7-9-17(10-8-16)25-22(28)18-13-24-21-19(20(18)23)15(3)26-27(21)11-5-6-12-29-4;1-12-17-18(22)16(11-26-19(17)29(28-12)15-5-3-2-4-6-15)20(30)27-14-9-7-13(8-10-14)21(23,24)25;1-12-17-18(22)16(20(27)24-14-9-7-13(21)8-10-14)11-23-19(17)26(25-12)15-5-3-2-4-6-15;1-13-6-8-15(9-7-13)23-20(26)16-12-22-19-17(18(16)21)14(2)24-25(19)10-4-5-11-27-3;1-11-16-17(21)15(19(26)23-13-8-6-12(20)7-9-13)10-22-18(16)25(24-11)14-4-2-3-5-14/h9-14,18H,4-8H2,1-3H3,(H,26,29);7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,28);7-11,15H,2-6H2,1H3,(H,27,30);7-11,15H,2-6H2,1H3,(H,24,27);6-9,12H,4-5,10-11H2,1-3H3,(H,23,26);6-10,14H,2-5H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2442.23 g/mol, XLogP of 33.24, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-cyclohexyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-cyclopentyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclohexyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-methoxybutyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 159627809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159627809 — identifiers, structure, computed properties (public domain)
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