C116H96F8N24O4 — CID 158223955
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158223955) has the molecular formula C116H96F8N24O4 and a molecular weight of 2042.19 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-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-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158223955 |
| Molecular Formula | C116H96F8N24O4 |
| Molecular Weight | 2042.19 g/mol |
| Exact Mass | 2040.79 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-fluorophenyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C30H25F3N6O.C29H23F3N6O.C29H25FN6O.C28H23FN6O/c31-23-4-1-20(2-5-23)26-8-6-24(17-35-26)36-29(40)28-25-14-21(3-7-27(25)37-38-28)22-13-19(15-34-16-22)18-39-11-9-30(32,33)10-12-39;30-22-4-1-19(2-5-22)25-8-6-23(15-34-25)35-28(39)27-24-12-20(3-7-26(24)36-37-27)21-11-18(13-33-14-21)16-38-10-9-29(31,32)17-38;30-22-7-4-19(5-8-22)26-11-9-23(17-32-26)33-29(37)28-25-15-20(6-10-27(25)34-35-28)21-14-24(18-31-16-21)36-12-2-1-3-13-36;29-21-6-3-18(4-7-21)25-10-8-22(16-31-25)32-28(36)27-24-14-19(5-9-26(24)33-34-27)20-13-23(17-30-15-20)35-11-1-2-12-35/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);4-11,14-18H,1-3,12-13H2,(H,33,37)(H,34,35);3-10,13-17H,1-2,11-12H2,(H,32,36)(H,33,34) |
| InChIKey | GDOQJMQKXUYFKN-UHFFFAOYSA-N |
| XLogP | 23.98 |
| TPSA | 347.20 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2042.19 |
| LogP ≤ 5 | 23.98 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |