C102H107N25O14S4 — CID 159990989
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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 159990989) has the molecular formula C102H107N25O14S4 and a molecular weight of 2035.41 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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 | 159990989 |
| Molecular Formula | C102H107N25O14S4 |
| Molecular Weight | 2035.41 g/mol |
| Exact Mass | 2033.73 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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(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(NC(=O)C5CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1 |
| InChI | InChI=1S/C27H30N6O3S.C26H28N6O3S.C25H24N6O4S.C24H25N7O4S/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)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;1-14(2)36(34,35)22-8-6-18(13-27-22)28-25(33)23-20-10-16(5-7-21(20)30-31-23)17-9-19(12-26-11-17)29-24(32)15-3-4-15;1-14(2)36(34,35)21-8-6-17(13-26-21)27-23(32)22-19-10-15(5-7-20(19)29-30-22)16-9-18(12-25-11-16)28-24(33)31(3)4/h6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32);5-8,11-15,17H,3-4,9-10,16H2,1-2H3,(H,29,33)(H,30,31);5-15H,3-4H2,1-2H3,(H,28,33)(H,29,32)(H,30,31);5-14H,1-4H3,(H,27,32)(H,28,33)(H,29,30) |
| InChIKey | OGYCZMRNNJABLQ-UHFFFAOYSA-N |
| XLogP | 15.84 |
| TPSA | 538.72 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2035.41 |
| LogP ≤ 5 | 15.84 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 28 |