C177H193F2N51O20 — CID 160923072
N'-(4-fluorophenyl)-N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide (PubChem CID 160923072) has the molecular formula C177H193F2N51O20 and a molecular weight of 3392.82 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide.
| Compound Name | N'-(4-fluorophenyl)-N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide |
|---|---|
| PubChem CID | 160923072 |
| Molecular Formula | C177H193F2N51O20 |
| Molecular Weight | 3392.82 g/mol |
| Exact Mass | 3390.56 |
| IUPAC Name | N'-(4-fluorophenyl)-N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide |
| SMILES | CCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(F)cc3)NO)c2c1)N1CCCCC1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(F)cc3)NO)c2c1)N1CCN(CCn2ccnc2)CC1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(O)cc3)NO)c2c1)N1CCCCC1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(O)cc3)NO)c2c1)N1CCN(CCn2ccnc2)CC1.O=C(c1ccc2[nH]nc(/C(=N/c3ccccc3)NO)c2c1)N1CCN(CCn2ccnc2)CC1 |
| InChI | InChI=1S/C24H25FN8O2.C24H26N8O3.C24H26N8O2.C22H26N6O3.C22H26N6O2.C21H23N5O3.C20H20FN5O2.C20H21N5O3/c25-18-2-4-19(5-3-18)27-23(30-35)22-20-15-17(1-6-21(20)28-29-22)24(34)33-13-11-31(12-14-33)9-10-32-8-7-26-16-32;33-19-4-2-18(3-5-19)26-23(29-35)22-20-15-17(1-6-21(20)27-28-22)24(34)32-13-11-30(12-14-32)9-10-31-8-7-25-16-31;33-24(32-14-12-30(13-15-32)10-11-31-9-8-25-17-31)18-6-7-21-20(16-18)22(28-27-21)23(29-34)26-19-4-2-1-3-5-19;1-31-14-13-27-9-11-28(12-10-27)22(29)16-7-8-19-18(15-16)20(25-24-19)21(26-30)23-17-5-3-2-4-6-17;1-2-10-27-11-13-28(14-12-27)22(29)16-8-9-19-18(15-16)20(25-24-19)21(26-30)23-17-6-4-3-5-7-17;1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26;21-14-5-7-15(8-6-14)22-19(25-28)18-16-12-13(4-9-17(16)23-24-18)20(27)26-10-2-1-3-11-26;26-15-7-5-14(6-8-15)21-19(24-28)18-16-12-13(4-9-17(16)22-23-18)20(27)25-10-2-1-3-11-25/h1-8,15-16,35H,9-14H2,(H,27,30)(H,28,29);1-8,15-16,33,35H,9-14H2,(H,26,29)(H,27,28);1-9,16-17,34H,10-15H2,(H,26,29)(H,27,28);2-8,15,30H,9-14H2,1H3,(H,23,26)(H,24,25);3-9,15,30H,2,10-14H2,1H3,(H,23,26)(H,24,25);5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24);4-9,12,28H,1-3,10-11H2,(H,22,25)(H,23,24);4-9,12,26,28H,1-3,10-11H2,(H,21,24)(H,22,23) |
| InChIKey | SSGZAAPEUMACDM-UHFFFAOYSA-N |
| XLogP | 21.07 |
| TPSA | 877.46 Ų |
| H-Bond Donors | 26 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3392.82 |
| LogP ≤ 5 | 21.07 |
| H-Bond Donors ≤ 5 | 26 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|