C122H114N16O11 — CID 159194260
N-[3-[3-(cyclopropanecarbonylamino)phenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;8-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)octanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide;3-oxo-N-[3-(4-phenylmethoxyphenyl)-1H-indazol-5-yl]cyclopentane-1-carboxamide (PubChem CID 159194260) has the molecular formula C122H114N16O11 and a molecular weight of 1980.35 g/mol. Its IUPAC name is N-[3-[3-(cyclopropanecarbonylamino)phenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;8-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)octanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide;3-oxo-N-[3-(4-phenylmethoxyphenyl)-1H-indazol-5-yl]cyclopentane-1-carboxamide.
| Compound Name | N-[3-[3-(cyclopropanecarbonylamino)phenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;8-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)octanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide;3-oxo-N-[3-(4-phenylmethoxyphenyl)-1H-indazol-5-yl]cyclopentane-1-carboxamide |
|---|---|
| PubChem CID | 159194260 |
| Molecular Formula | C122H114N16O11 |
| Molecular Weight | 1980.35 g/mol |
| Exact Mass | 1978.89 |
| IUPAC Name | N-[3-[3-(cyclopropanecarbonylamino)phenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;8-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)octanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide;3-oxo-N-[3-(4-phenylmethoxyphenyl)-1H-indazol-5-yl]cyclopentane-1-carboxamide |
| SMILES | COC1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1.O=C(CCCCCCCO)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)c1ccc(CO)cc1.O=C(Nc1cccc(-c2n[nH]c3ccc(NC(=O)C4CC4)cc23)c1)C1CC1.O=C1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccc(OCc5ccccc5)cc4)c3c2)C1 |
| InChI | InChI=1S/C26H23N3O3.C25H25N3O2.C25H19N3O2.C25H27N3O2.C21H20N4O2/c30-21-10-6-19(14-21)26(31)27-20-9-13-24-23(15-20)25(29-28-24)18-7-11-22(12-8-18)32-16-17-4-2-1-3-5-17;1-30-21-11-8-17(9-12-21)25(29)26-20-10-13-23-22(15-20)24(28-27-23)19-7-6-16-4-2-3-5-18(16)14-19;29-15-16-5-7-18(8-6-16)25(30)26-21-11-12-23-22(14-21)24(28-27-23)20-10-9-17-3-1-2-4-19(17)13-20;29-15-7-3-1-2-4-10-24(30)26-21-13-14-23-22(17-21)25(28-27-23)20-12-11-18-8-5-6-9-19(18)16-20;26-20(12-4-5-12)22-15-3-1-2-14(10-15)19-17-11-16(8-9-18(17)24-25-19)23-21(27)13-6-7-13/h1-5,7-9,11-13,15,19H,6,10,14,16H2,(H,27,31)(H,28,29);2-7,10,13-15,17,21H,8-9,11-12H2,1H3,(H,26,29)(H,27,28);1-14,29H,15H2,(H,26,30)(H,27,28);5-6,8-9,11-14,16-17,29H,1-4,7,10,15H2,(H,26,30)(H,27,28);1-3,8-13H,4-7H2,(H,22,26)(H,23,27)(H,24,25) |
| InChIKey | KOLRNXLUXAKSIC-UHFFFAOYSA-N |
| XLogP | 25.35 |
| TPSA | 393.99 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1980.35 |
| LogP ≤ 5 | 25.35 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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