C131H135N29O17S5 — CID 159293584
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159293584) has the molecular formula C131H135N29O17S5 and a molecular weight of 2548.04 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159293584 |
| Molecular Formula | C131H135N29O17S5 |
| Molecular Weight | 2548.04 g/mol |
| Exact Mass | 2545.92 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H30N6O3S.C27H23N5O4S.C26H28N6O4S.C26H28N6O3S.C25H26N6O3S/c1-18(2)37(35,36)25-9-7-22(16-29-25)30-27(34)26-23-13-20(6-8-24(23)31-32-26)21-12-19(14-28-15-21)17-33-10-4-3-5-11-33;1-17(2)37(34,35)25-11-9-20(15-29-25)30-27(33)26-23-13-18(8-10-24(23)31-32-26)19-12-22(16-28-14-19)36-21-6-4-3-5-7-21;1-17(2)37(34,35)24-6-4-21(15-28-24)29-26(33)25-22-12-19(3-5-23(22)30-31-25)20-11-18(13-27-14-20)16-32-7-9-36-10-8-32;1-17(2)36(34,35)24-8-6-21(15-28-24)29-26(33)25-22-12-19(5-7-23(22)30-31-25)20-11-18(13-27-14-20)16-32-9-3-4-10-32;1-16(2)35(33,34)23-7-5-20(14-27-23)28-25(32)24-21-11-18(4-6-22(21)29-30-24)19-10-17(12-26-13-19)15-31-8-3-9-31/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32);3-17H,1-2H3,(H,30,33)(H,31,32);3-6,11-15,17H,7-10,16H2,1-2H3,(H,29,33)(H,30,31);5-8,11-15,17H,3-4,9-10,16H2,1-2H3,(H,29,33)(H,30,31);4-7,10-14,16H,3,8-9,15H2,1-2H3,(H,28,32)(H,29,30) |
| InChIKey | LAKWNLWXKVDTBW-UHFFFAOYSA-N |
| XLogP | 20.68 |
| TPSA | 619.92 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2548.04 |
| LogP ≤ 5 | 20.68 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 36 |