C115H96F6N24O9 — CID 161063478
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-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 (PubChem CID 161063478) has the molecular formula C115H96F6N24O9 and a molecular weight of 2072.18 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;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-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.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-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 |
|---|---|
| PubChem CID | 161063478 |
| Molecular Formula | C115H96F6N24O9 |
| Molecular Weight | 2072.18 g/mol |
| Exact Mass | 2070.77 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-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 |
| SMILES | 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.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H25F3N6O2.C29H25FN6O2.C28H23FN6O3.C28H23FN6O2/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;30-24-6-2-3-7-26(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;29-23-3-1-2-4-25(23)38-26-8-6-20(16-31-26)32-28(36)27-22-14-18(5-7-24(22)33-34-27)19-13-21(17-30-15-19)35-9-11-37-12-10-35;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);2-3,6-11,14-18H,1,4-5,12-13H2,(H,33,37)(H,34,35);1-8,13-17H,9-12H2,(H,32,36)(H,33,34);1-2,5-10,13-17H,3-4,11-12H2,(H,32,36)(H,33,34) |
| InChIKey | UDRXXVGCPCEBFO-UHFFFAOYSA-N |
| XLogP | 23.47 |
| TPSA | 393.35 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2072.18 |
| LogP ≤ 5 | 23.47 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |