C116H96F8N24O8 — CID 159561195
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159561195) has the molecular formula C116H96F8N24O8 and a molecular weight of 2106.19 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-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-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159561195 |
| Molecular Formula | C116H96F8N24O8 |
| Molecular Weight | 2106.19 g/mol |
| Exact Mass | 2104.77 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C30H25F3N6O2.C29H23F3N6O2.C29H25FN6O2.C28H23FN6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39;30-21-2-1-3-23(12-21)40-26-7-5-22(15-34-26)35-28(39)27-24-11-19(4-6-25(24)36-37-27)20-10-18(13-33-14-20)16-38-9-8-29(31,32)17-38;30-21-5-4-6-24(15-21)38-27-10-8-22(17-32-27)33-29(37)28-25-14-19(7-9-26(25)34-35-28)20-13-23(18-31-16-20)36-11-2-1-3-12-36;29-20-4-3-5-23(14-20)37-26-9-7-21(16-31-26)32-28(36)27-24-13-18(6-8-25(24)33-34-27)19-12-22(17-30-15-19)35-10-1-2-11-35/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38);1-7,10-15H,8-9,16-17H2,(H,35,39)(H,36,37);4-10,13-18H,1-3,11-12H2,(H,33,37)(H,34,35);3-9,12-17H,1-2,10-11H2,(H,32,36)(H,33,34) |
| InChIKey | MGQLVOFOYIDYAR-UHFFFAOYSA-N |
| XLogP | 24.48 |
| TPSA | 384.12 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2106.19 |
| LogP ≤ 5 | 24.48 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |