C112H120F4N28O8 — CID 157330405
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157330405) has the molecular formula C112H120F4N28O8 and a molecular weight of 2062.37 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-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-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157330405 |
| Molecular Formula | C112H120F4N28O8 |
| Molecular Weight | 2062.37 g/mol |
| Exact Mass | 2060.98 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C29H31F2N7O2.C28H29F2N7O2.C28H31N7O2.C27H29N7O2/c30-29(31)7-11-37(12-8-29)18-19-13-21(16-32-15-19)20-1-3-25-24(14-20)27(36-35-25)28(40)34-22-2-4-26(33-17-22)38-9-5-23(39)6-10-38;29-28(30)7-10-36(17-28)16-18-11-20(14-31-13-18)19-1-3-24-23(12-19)26(35-34-24)27(39)33-21-2-4-25(32-15-21)37-8-5-22(38)6-9-37;36-23-8-12-35(13-9-23)26-7-5-21(17-30-26)31-28(37)27-24-15-19(4-6-25(24)32-33-27)20-14-22(18-29-16-20)34-10-2-1-3-11-34;35-22-7-11-34(12-8-22)25-6-4-20(16-29-25)30-27(36)26-23-14-18(3-5-24(23)31-32-26)19-13-21(17-28-15-19)33-9-1-2-10-33/h1-4,13-17,23,39H,5-12,18H2,(H,34,40)(H,35,36);1-4,11-15,22,38H,5-10,16-17H2,(H,33,39)(H,34,35);4-7,14-18,23,36H,1-3,8-13H2,(H,31,37)(H,32,33);3-6,13-17,22,35H,1-2,7-12H2,(H,30,36)(H,31,32) |
| InChIKey | BFFHYRWIQQRACF-UHFFFAOYSA-N |
| XLogP | 16.60 |
| TPSA | 441.08 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2062.37 |
| LogP ≤ 5 | 16.60 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 28 |