C71H58F4N14O8 — CID 162234077
7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 162234077) has the molecular formula C71H58F4N14O8 and a molecular weight of 1311.33 g/mol. Its IUPAC name is 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid.
| Compound Name | 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid |
|---|---|
| PubChem CID | 162234077 |
| Molecular Formula | C71H58F4N14O8 |
| Molecular Weight | 1311.33 g/mol |
| Exact Mass | 1310.45 |
| IUPAC Name | 7-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxylic acid |
| SMILES | CC(C)[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)cc(F)c21.O=C(NCc1ccco1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(O)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1 |
| InChI | InChI=1S/C20H15FN4O2.C20H21FN4O2.C16H12FN3O2.C15H10FN3O2/c21-17-10-14(20(26)23-12-15-4-2-8-27-15)9-16-18(24-25-19(16)17)6-5-13-3-1-7-22-11-13;1-12(2)18(11-26)23-20(27)14-8-15-17(24-25-19(15)16(21)9-14)6-5-13-4-3-7-22-10-13;1-20-15-12(7-11(16(21)22)8-13(15)17)14(19-20)5-4-10-3-2-6-18-9-10;16-12-7-10(15(20)21)6-11-13(18-19-14(11)12)4-3-9-2-1-5-17-8-9/h1-11H,12H2,(H,23,26)(H,24,25);3-10,12,18,26H,11H2,1-2H3,(H,23,27)(H,24,25);2-9H,1H3,(H,21,22);1-8H,(H,18,19)(H,20,21)/b2*6-5+;5-4+;4-3+/t;18-;;/m.1../s1 |
| InChIKey | ZVVFYIQPHCKLQD-XMXPEPRMSA-N |
| XLogP | 12.75 |
| TPSA | 321.59 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 97 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1311.33 |
| LogP ≤ 5 | 12.75 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 15 |