C111H88F8N24O8 — CID 158179440
5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158179440) has the molecular formula C111H88F8N24O8 and a molecular weight of 2038.07 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158179440 |
| Molecular Formula | C111H88F8N24O8 |
| Molecular Weight | 2038.07 g/mol |
| Exact Mass | 2036.71 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12 |
| InChI | InChI=1S/C30H25F3N6O2.C29H23F3N6O2.C28H23FN6O2.C24H17FN6O2/c31-24-3-1-2-4-26(24)41-27-8-6-22(17-35-27)36-29(40)28-23-14-20(5-7-25(23)37-38-28)21-13-19(15-34-16-21)18-39-11-9-30(32,33)10-12-39;30-23-3-1-2-4-25(23)40-26-8-6-21(15-34-26)35-28(39)27-22-12-19(5-7-24(22)36-37-27)20-11-18(13-33-14-20)16-38-10-9-29(31,32)17-38;29-23-5-1-2-6-25(23)37-26-10-8-20(16-31-26)32-28(36)27-22-14-18(7-9-24(22)33-34-27)19-13-21(17-30-15-19)35-11-3-4-12-35;25-19-3-1-2-4-21(19)33-22-8-6-17(13-28-22)29-24(32)23-18-10-14(5-7-20(18)30-31-23)15-9-16(26)12-27-11-15/h1-8,13-17H,9-12,18H2,(H,36,40)(H,37,38);1-8,11-15H,9-10,16-17H2,(H,35,39)(H,36,37);1-2,5-10,13-17H,3-4,11-12H2,(H,32,36)(H,33,34);1-13H,26H2,(H,29,32)(H,30,31) |
| InChIKey | FYJYHINSJICPJX-UHFFFAOYSA-N |
| XLogP | 23.07 |
| TPSA | 406.90 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.07 |
| LogP ≤ 5 | 23.07 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |