C113H123F4N27O6 — CID 160572511
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide (PubChem CID 160572511) has the molecular formula C113H123F4N27O6 and a molecular weight of 2031.40 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide |
|---|---|
| PubChem CID | 160572511 |
| Molecular Formula | C113H123F4N27O6 |
| Molecular Weight | 2031.40 g/mol |
| Exact Mass | 2030.01 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indole-3-carboxamide |
| SMILES | CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2c[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C29H34F2N8O.C28H32F2N8O.C28H32N6O2.C28H25N5O2/c1-37(2)12-13-38(3)26-7-5-23(18-33-26)34-28(40)27-24-15-21(4-6-25(24)35-36-27)22-14-20(16-32-17-22)19-39-10-8-29(30,31)9-11-39;1-36(2)10-11-37(3)25-7-5-22(16-32-25)33-27(39)26-23-13-20(4-6-24(23)34-35-26)21-12-19(14-31-15-21)17-38-9-8-28(29,30)18-38;1-33(2)18-23-5-4-22(15-30-23)32-28(36)26-16-31-27-6-3-20(12-25(26)27)21-11-19(13-29-14-21)17-34-9-7-24(35)8-10-34;1-33(2)18-22-10-9-21(15-30-22)32-28(34)26-17-31-27-11-8-19(13-25(26)27)20-12-24(16-29-14-20)35-23-6-4-3-5-7-23/h4-7,14-18H,8-13,19H2,1-3H3,(H,34,40)(H,35,36);4-7,12-16H,8-11,17-18H2,1-3H3,(H,33,39)(H,34,35);3-6,11-16,24,31,35H,7-10,17-18H2,1-2H3,(H,32,36);3-17,31H,18H2,1-2H3,(H,32,34) |
| InChIKey | RASQCFUAOHAHSJ-UHFFFAOYSA-N |
| XLogP | 18.24 |
| TPSA | 367.08 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2031.40 |
| LogP ≤ 5 | 18.24 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |