C90H76F5N19O6S — CID 161422319
N-cyclopropyl-7-fluoro-3-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 161422319) has the molecular formula C90H76F5N19O6S and a molecular weight of 1646.78 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-3-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-7-fluoro-3-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 161422319 |
| Molecular Formula | C90H76F5N19O6S |
| Molecular Weight | 1646.78 g/mol |
| Exact Mass | 1645.59 |
| IUPAC Name | N-cyclopropyl-7-fluoro-3-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide |
| SMILES | COc1cccc(/C=C/c2[nH]nc3c(F)cc(C(=O)NC4CC4)cc23)n1.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3ccccn3)c2c1.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3cccnc3)c2c1.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3ccncc3)c2c1.O=C(NC1CC1)c1cc(F)c2n[nH]c(/C=C/c3ccsc3)c2c1 |
| InChI | InChI=1S/C19H17FN4O2.3C18H15FN4O.C17H14FN3OS/c1-26-17-4-2-3-12(21-17)7-8-16-14-9-11(19(25)22-13-5-6-13)10-15(20)18(14)24-23-16;19-15-10-12(18(24)21-13-2-3-13)9-14-16(22-23-17(14)15)4-1-11-5-7-20-8-6-11;19-15-9-12(18(24)21-13-4-5-13)8-14-16(22-23-17(14)15)6-3-11-2-1-7-20-10-11;19-15-10-11(18(24)21-13-4-5-13)9-14-16(22-23-17(14)15)7-6-12-3-1-2-8-20-12;18-14-8-11(17(22)19-12-2-3-12)7-13-15(20-21-16(13)14)4-1-10-5-6-23-9-10/h2-4,7-10,13H,5-6H2,1H3,(H,22,25)(H,23,24);1,4-10,13H,2-3H2,(H,21,24)(H,22,23);2*1-3,6-10,13H,4-5H2,(H,21,24)(H,22,23);1,4-9,12H,2-3H2,(H,19,22)(H,20,21)/b8-7+;4-1+;6-3+;7-6+;4-1+ |
| InChIKey | VWWZNNSPPZGIPY-FNZPMWGXSA-N |
| XLogP | 16.47 |
| TPSA | 349.69 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 121 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1646.78 |
| LogP ≤ 5 | 16.47 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 16 |