C103H108F2N24O13S4 — CID 158448745
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158448745) has the molecular formula C103H108F2N24O13S4 and a molecular weight of 2056.42 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158448745 |
| Molecular Formula | C103H108F2N24O13S4 |
| Molecular Weight | 2056.42 g/mol |
| Exact Mass | 2054.74 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H28F2N6O3S.C26H28N6O3S.C25H26N6O4S.C25H26N6O3S/c1-17(2)39(37,38)24-6-4-21(15-31-24)32-26(36)25-22-12-19(3-5-23(22)33-34-25)20-11-18(13-30-14-20)16-35-9-7-27(28,29)8-10-35;1-17(2)36(34,35)24-9-7-20(15-28-24)29-26(33)25-22-13-18(6-8-23(22)30-31-25)19-12-21(16-27-14-19)32-10-4-3-5-11-32;1-16(2)36(33,34)23-6-4-19(14-27-23)28-25(32)24-21-12-17(3-5-22(21)29-30-24)18-11-20(15-26-13-18)31-7-9-35-10-8-31;1-16(2)35(33,34)23-8-6-19(14-27-23)28-25(32)24-21-12-17(5-7-22(21)29-30-24)18-11-20(15-26-13-18)31-9-3-4-10-31/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);6-9,12-17H,3-5,10-11H2,1-2H3,(H,29,33)(H,30,31);3-6,11-16H,7-10H2,1-2H3,(H,28,32)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30) |
| InChIKey | HDSFIHHQSOYFDK-UHFFFAOYSA-N |
| XLogP | 16.48 |
| TPSA | 492.99 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2056.42 |
| LogP ≤ 5 | 16.48 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 29 |