C111H88F2N30O8 — CID 159540583
N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 159540583) has the molecular formula C111H88F2N30O8 and a molecular weight of 2008.12 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide.
| Compound Name | N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide |
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| PubChem CID | 159540583 |
| Molecular Formula | C111H88F2N30O8 |
| Molecular Weight | 2008.12 g/mol |
| Exact Mass | 2006.74 |
| IUPAC Name | N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(4-fluorophenyl)-4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[2-(oxan-4-yl)ethyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2-phenoxyethyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide |
| SMILES | O=C(NCCC1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(NCCOc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccco1.O=C(Nc1ccc(F)cc1)c1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 |
| InChI | InChI=1S/C24H20N6O2.C23H24N6O2.2C22H15FN6O.C20H14N6O2/c31-24(25-11-12-32-19-7-2-1-3-8-19)18-6-4-5-16(13-18)22-20-14-17(23-26-15-27-30-23)9-10-21(20)28-29-22;30-23(24-9-6-15-7-10-31-11-8-15)18-3-1-2-16(12-18)21-19-13-17(22-25-14-26-29-22)4-5-20(19)27-28-21;23-16-6-8-17(9-7-16)26-22(30)14-3-1-13(2-4-14)20-18-11-15(21-24-12-25-29-21)5-10-19(18)27-28-20;23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20;27-20(17-2-1-9-28-17)23-14-6-3-12(4-7-14)18-15-10-13(19-21-11-22-26-19)5-8-16(15)24-25-18/h1-10,13-15H,11-12H2,(H,25,31)(H,28,29)(H,26,27,30);1-5,12-15H,6-11H2,(H,24,30)(H,27,28)(H,25,26,29);2*1-12H,(H,26,30)(H,27,28)(H,24,25,29);1-11H,(H,23,27)(H,24,25)(H,21,22,26) |
| InChIKey | MEDNXMRUMCNVLT-UHFFFAOYSA-N |
| XLogP | 20.06 |
| TPSA | 528.35 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2008.12 |
| LogP ≤ 5 | 20.06 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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