C108H98F6N24O8 — CID 158278466
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158278466) has the molecular formula C108H98F6N24O8 and a molecular weight of 1974.12 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158278466 |
| Molecular Formula | C108H98F6N24O8 |
| Molecular Weight | 1974.12 g/mol |
| Exact Mass | 1972.79 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H27FN6O3.C29H25FN6O3.C25H24F2N6O.C24H22F2N6O/c31-25-3-1-2-4-27(25)40-28-8-6-22(17-33-28)34-30(39)29-24-14-20(5-7-26(24)35-36-29)21-13-19(15-32-16-21)18-37-11-9-23(38)10-12-37;30-24-3-1-2-4-26(24)39-27-8-6-22(17-32-27)33-29(37)28-23-14-20(5-7-25(23)34-35-28)21-13-19(15-31-16-21)18-36-9-11-38-12-10-36;1-16-2-4-20(14-29-16)30-24(34)23-21-11-18(3-5-22(21)31-32-23)19-10-17(12-28-13-19)15-33-8-6-25(26,27)7-9-33;1-15-2-4-19(12-28-15)29-23(33)22-20-9-17(3-5-21(20)30-31-22)18-8-16(10-27-11-18)13-32-7-6-24(25,26)14-32/h1-8,13-17,23,38H,9-12,18H2,(H,34,39)(H,35,36);1-8,13-17H,9-12,18H2,(H,33,37)(H,34,35);2-5,10-14H,6-9,15H2,1H3,(H,30,34)(H,31,32);2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31) |
| InChIKey | GJXHRYKHANYBBN-UHFFFAOYSA-N |
| XLogP | 19.43 |
| TPSA | 395.12 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1974.12 |
| LogP ≤ 5 | 19.43 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |