C117H109F2N25O11 — CID 158468597
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158468597) has the molecular formula C117H109F2N25O11 and a molecular weight of 2079.32 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
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| PubChem CID | 158468597 |
| Molecular Formula | C117H109F2N25O11 |
| Molecular Weight | 2079.32 g/mol |
| Exact Mass | 2077.87 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-hydroxyphenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(O)cc4)c3c2)c1.O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C25H23F2N5O2.C24H23N5O2.C23H21N5O3.C23H21N5O2.C22H21N5O2/c26-25(27)7-9-32(10-8-25)15-16-11-18(14-28-13-16)17-1-6-22-21(12-17)23(31-30-22)24(34)29-19-2-4-20(33)5-3-19;30-20-7-5-18(6-8-20)26-24(31)23-21-13-16(4-9-22(21)27-28-23)17-12-19(15-25-14-17)29-10-2-1-3-11-29;29-19-4-2-17(3-5-19)25-23(30)22-20-12-15(1-6-21(20)26-27-22)16-11-18(14-24-13-16)28-7-9-31-10-8-28;29-19-6-4-17(5-7-19)25-23(30)22-20-12-15(3-8-21(20)26-27-22)16-11-18(14-24-13-16)28-9-1-2-10-28;1-27(2)13-14-9-16(12-23-11-14)15-3-8-20-19(10-15)21(26-25-20)22(29)24-17-4-6-18(28)7-5-17/h1-6,11-14,33H,7-10,15H2,(H,29,34)(H,30,31);4-9,12-15,30H,1-3,10-11H2,(H,26,31)(H,27,28);1-6,11-14,29H,7-10H2,(H,25,30)(H,26,27);3-8,11-14,29H,1-2,9-10H2,(H,25,30)(H,26,27);3-12,28H,13H2,1-2H3,(H,24,29)(H,25,26) |
| InChIKey | HGBKGALDJSZFMU-UHFFFAOYSA-N |
| XLogP | 20.63 |
| TPSA | 479.93 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2079.32 |
| LogP ≤ 5 | 20.63 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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