C121H119N35O9 — CID 161290282
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 161290282) has the molecular formula C121H119N35O9 and a molecular weight of 2207.52 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161290282 |
| Molecular Formula | C121H119N35O9 |
| Molecular Weight | 2207.52 g/mol |
| Exact Mass | 2205.99 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)nc4)c3c2)c1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C26H22N6O2.C24H25N7O2.C24H23N7O2.C24H25N7O.C23H24N8O2/c1-32(2)24-11-9-19(15-28-24)29-26(33)25-22-13-17(8-10-23(22)30-31-25)18-12-21(16-27-14-18)34-20-6-4-3-5-7-20;1-30(2)22-6-4-18(14-26-22)27-24(32)23-20-12-16(3-5-21(20)28-29-23)17-11-19(15-25-13-17)31-7-9-33-10-8-31;1-31(2)21-8-6-17(13-26-21)27-24(33)22-19-10-15(5-7-20(19)29-30-22)16-9-18(12-25-11-16)28-23(32)14-3-4-14;1-30(2)22-7-5-19(14-26-22)27-24(32)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-31-8-3-9-31;1-30(2)20-8-6-16(13-25-20)26-22(32)21-18-10-14(5-7-19(18)28-29-21)15-9-17(12-24-11-15)27-23(33)31(3)4/h3-16H,1-2H3,(H,29,33)(H,30,31);3-6,11-15H,7-10H2,1-2H3,(H,27,32)(H,28,29);5-14H,3-4H2,1-2H3,(H,27,33)(H,28,32)(H,29,30);4-7,10-14H,3,8-9,15H2,1-2H3,(H,27,32)(H,28,29);5-13H,1-4H3,(H,26,32)(H,27,33)(H,28,29) |
| InChIKey | VGGHJNHHIQQSPJ-UHFFFAOYSA-N |
| XLogP | 18.97 |
| TPSA | 520.38 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2207.52 |
| LogP ≤ 5 | 18.97 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 31 |