C107H112F2N24O7 — CID 159954238
N-(3-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159954238) has the molecular formula C107H112F2N24O7 and a molecular weight of 1884.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(3-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159954238 |
| Molecular Formula | C107H112F2N24O7 |
| Molecular Weight | 1884.23 g/mol |
| Exact Mass | 1882.91 |
| IUPAC Name | N-(3-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C29H33N7O2.C28H31N7O2.C25H24FN5O2.C25H24FN5O/c37-24-8-12-36(13-9-24)27-7-5-23(18-31-27)32-29(38)28-25-15-21(4-6-26(25)33-34-28)22-14-20(16-30-17-22)19-35-10-2-1-3-11-35;36-23-7-11-34(12-8-23)18-19-13-21(16-29-15-19)20-3-5-25-24(14-20)27(33-32-25)28(37)31-22-4-6-26(30-17-22)35-9-1-2-10-35;26-19-2-1-3-20(12-19)28-25(33)24-22-11-17(4-5-23(22)29-30-24)18-10-16(13-27-14-18)15-31-8-6-21(32)7-9-31;26-20-5-4-6-21(13-20)28-25(32)24-22-12-18(7-8-23(22)29-30-24)19-11-17(14-27-15-19)16-31-9-2-1-3-10-31/h4-7,14-18,24,37H,1-3,8-13,19H2,(H,32,38)(H,33,34);3-6,13-17,23,36H,1-2,7-12,18H2,(H,31,37)(H,32,33);1-5,10-14,21,32H,6-9,15H2,(H,28,33)(H,29,30);4-8,11-15H,1-3,9-10,16H2,(H,28,32)(H,29,30) |
| InChIKey | OCMWKWOINHVZIU-UHFFFAOYSA-N |
| XLogP | 17.02 |
| TPSA | 388.59 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1884.23 |
| LogP ≤ 5 | 17.02 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 23 |