C105H98F10N20O6 — CID 162105694
1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide (PubChem CID 162105694) has the molecular formula C105H98F10N20O6 and a molecular weight of 1926.05 g/mol. Its IUPAC name is 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide.
| Compound Name | 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide |
|---|---|
| PubChem CID | 162105694 |
| Molecular Formula | C105H98F10N20O6 |
| Molecular Weight | 1926.05 g/mol |
| Exact Mass | 1924.78 |
| IUPAC Name | 1-acetyl-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide;1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide |
| SMILES | CC(=O)N1CCC(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.NC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCCN1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCNC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1 |
| InChI | InChI=1S/C23H22F2N4O2.3C21H20F2N4O.C19H16F2N4O/c1-14(30)29-10-8-16(9-11-29)23(31)26-22-12-18-20(27-28-21(18)13-19(22)25)7-4-15-2-5-17(24)6-3-15;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;22-15-6-3-13(4-7-15)5-8-18-16-10-20(17(23)11-19(16)27-26-18)25-21(28)14-2-1-9-24-12-14;22-14-7-4-13(5-8-14)6-9-17-15-11-20(16(23)12-19(15)27-26-17)25-21(28)18-3-1-2-10-24-18;20-12-4-1-11(2-5-12)3-6-15-13-9-17(14(21)10-16(13)25-24-15)23-18(26)19(22)7-8-19/h2-7,12-13,16H,8-11H2,1H3,(H,26,31)(H,27,28);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27);4-9,11-12,18,24H,1-3,10H2,(H,25,28)(H,26,27);1-6,9-10H,7-8,22H2,(H,23,26)(H,24,25)/b7-4+;6-3+;8-5+;9-6+;6-3+ |
| InChIKey | ZFMAPCMTUDLXKS-RONMJXIFSA-N |
| XLogP | 19.64 |
| TPSA | 371.32 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1926.05 |
| LogP ≤ 5 | 19.64 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 15 |