C120H112F8N24O8 — CID 157230427
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-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane (PubChem CID 157230427) has the molecular formula C120H112F8N24O8 and a molecular weight of 2170.36 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-(2-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane.
| 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-(2-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane |
|---|---|
| PubChem CID | 157230427 |
| Molecular Formula | C120H112F8N24O8 |
| Molecular Weight | 2170.36 g/mol |
| Exact Mass | 2168.90 |
| 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-(2-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane |
| SMILES | C.C.C.C.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.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C30H25F3N6O2.C29H23F3N6O2.C29H25FN6O2.C28H23FN6O2.4CH4/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;30-24-6-2-3-7-26(24)38-27-11-9-21(17-32-27)33-29(37)28-23-15-19(8-10-25(23)34-35-28)20-14-22(18-31-16-20)36-12-4-1-5-13-36;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;;;;/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);2-3,6-11,14-18H,1,4-5,12-13H2,(H,33,37)(H,34,35);1-2,5-10,13-17H,3-4,11-12H2,(H,32,36)(H,33,34);4*1H4 |
| InChIKey | AUAPOOAKMUUNJF-UHFFFAOYSA-N |
| XLogP | 27.02 |
| TPSA | 384.12 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2170.36 |
| LogP ≤ 5 | 27.02 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |