C114H106N26O12 — CID 157105286
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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 157105286) has the molecular formula C114H106N26O12 and a molecular weight of 2032.27 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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 | 157105286 |
| Molecular Formula | C114H106N26O12 |
| Molecular Weight | 2032.27 g/mol |
| Exact Mass | 2030.85 |
| IUPAC Name | 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-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)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(O)cc4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(O)cc4)c3c2)c1.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/C24H23N5O2.C23H21N5O3.C23H21N5O2.C22H20N6O3.C22H21N5O2/c30-20-7-5-18(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;1-28(2)22(31)25-16-9-14(11-23-12-16)13-3-8-19-18(10-13)20(27-26-19)21(30)24-15-4-6-17(29)7-5-15;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/h4-9,12-15,30H,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);3-12,29H,1-2H3,(H,24,30)(H,25,31)(H,26,27);3-12,28H,13H2,1-2H3,(H,24,29)(H,25,26) |
| InChIKey | AGFKFPJJEVIKTA-UHFFFAOYSA-N |
| XLogP | 19.50 |
| TPSA | 509.03 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2032.27 |
| LogP ≤ 5 | 19.50 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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