C109H123N31O5 — CID 159944208
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159944208) has the molecular formula C109H123N31O5 and a molecular weight of 1947.39 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159944208 |
| Molecular Formula | C109H123N31O5 |
| Molecular Weight | 1947.39 g/mol |
| Exact Mass | 1946.03 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C28H34N8O.C28H27N7O2.C27H32N8O.C26H30N8O/c1-35(2)13-10-30-26-9-7-23(18-31-26)32-28(37)27-24-15-21(6-8-25(24)33-34-27)22-14-20(16-29-17-22)19-36-11-4-3-5-12-36;1-35(2)13-12-30-26-11-9-21(17-31-26)32-28(36)27-24-15-19(8-10-25(24)33-34-27)20-14-23(18-29-16-20)37-22-6-4-3-5-7-22;1-34(2)12-9-29-25-8-6-22(17-30-25)31-27(36)26-23-14-20(5-7-24(23)32-33-26)21-13-19(15-28-16-21)18-35-10-3-4-11-35;1-33(2)11-8-28-24-7-5-21(16-29-24)30-26(35)25-22-13-19(4-6-23(22)31-32-25)20-12-18(14-27-15-20)17-34-9-3-10-34/h6-9,14-18H,3-5,10-13,19H2,1-2H3,(H,30,31)(H,32,37)(H,33,34);3-11,14-18H,12-13H2,1-2H3,(H,30,31)(H,32,36)(H,33,34);5-8,13-17H,3-4,9-12,18H2,1-2H3,(H,29,30)(H,31,36)(H,32,33);4-7,12-16H,3,8-11,17H2,1-2H3,(H,28,29)(H,30,35)(H,31,32) |
| InChIKey | OBGYOLRMRFMJTB-UHFFFAOYSA-N |
| XLogP | 16.56 |
| TPSA | 414.27 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1947.39 |
| LogP ≤ 5 | 16.56 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 28 |