C118H100F8N24O10 — CID 159612803
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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159612803) has the molecular formula C118H100F8N24O10 and a molecular weight of 2166.24 g/mol. Its IUPAC name is 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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-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-(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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159612803 |
| Molecular Formula | C118H100F8N24O10 |
| Molecular Weight | 2166.24 g/mol |
| Exact Mass | 2164.79 |
| IUPAC Name | 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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.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 |
| InChI | InChI=1S/C30H25F3N6O2.C30H27FN6O3.C29H23F3N6O2.C29H25FN6O3/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;31-22-2-1-3-25(14-22)40-28-7-5-23(17-33-28)34-30(39)29-26-13-20(4-6-27(26)35-36-29)21-12-19(15-32-16-21)18-37-10-8-24(38)9-11-37;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;30-22-2-1-3-24(14-22)39-27-7-5-23(17-32-27)33-29(37)28-25-13-20(4-6-26(25)34-35-28)21-12-19(15-31-16-21)18-36-8-10-38-11-9-36/h1-8,13-17H,9-12,18H2,(H,36,40)(H,37,38);1-7,12-17,24,38H,8-11,18H2,(H,34,39)(H,35,36);1-8,11-15H,9-10,16-17H2,(H,35,39)(H,36,37);1-7,12-17H,8-11,18H2,(H,33,37)(H,34,35) |
| InChIKey | MMXKNRCDEHRRFC-UHFFFAOYSA-N |
| XLogP | 22.68 |
| TPSA | 413.58 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2166.24 |
| LogP ≤ 5 | 22.68 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |