C103H117F4N31O4 — CID 162059266
5-(5-amino-3-pyridinyl)-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;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-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 162059266) has the molecular formula C103H117F4N31O4 and a molecular weight of 1929.27 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;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-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;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-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162059266 |
| Molecular Formula | C103H117F4N31O4 |
| Molecular Weight | 1929.27 g/mol |
| Exact Mass | 1927.98 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;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-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide |
| SMILES | CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cccnc4)cc23)cn1.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)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N)c4)cc23)cn1 |
| InChI | InChI=1S/C29H34F2N8O.C28H32F2N8O.C23H26N8O.C23H25N7O/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;1-30(2)8-9-31(3)21-7-5-18(14-26-21)27-23(32)22-19-11-15(4-6-20(19)28-29-22)16-10-17(24)13-25-12-16;1-29(2)11-12-30(3)21-9-7-18(15-25-21)26-23(31)22-19-13-16(6-8-20(19)27-28-22)17-5-4-10-24-14-17/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);4-7,10-14H,8-9,24H2,1-3H3,(H,27,32)(H,28,29);4-10,13-15H,11-12H2,1-3H3,(H,26,31)(H,27,28) |
| InChIKey | YZPKSCURPGKGOW-UHFFFAOYSA-N |
| XLogP | 14.73 |
| TPSA | 392.66 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1929.27 |
| LogP ≤ 5 | 14.73 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |