C86H77F4N13O14 — CID 157377219
N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 157377219) has the molecular formula C86H77F4N13O14 and a molecular weight of 1592.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157377219 |
| Molecular Formula | C86H77F4N13O14 |
| Molecular Weight | 1592.63 g/mol |
| Exact Mass | 1591.56 |
| IUPAC Name | N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC4CC4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1F.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cc1F |
| InChI | InChI=1S/C23H20FN5O3.C23H20FN3O4.C22H22FN3O3.C18H15FN2O4/c1-31-20-8-4-14(11-17(20)24)3-6-18-21-19(29-28-18)7-5-16(22(21)32-2)23(30)27-13-15-12-25-9-10-26-15;1-29-20-10-6-14(12-17(20)24)5-8-18-21-19(27-26-18)9-7-16(22(21)30-2)23(28)25-13-15-4-3-11-31-15;1-28-19-10-6-13(11-16(19)23)5-8-17-20-18(26-25-17)9-7-15(21(20)29-2)22(27)24-12-14-3-4-14;1-24-15-8-4-10(9-12(15)19)3-6-13-16-14(21-20-13)7-5-11(18(22)23)17(16)25-2/h3-12H,13H2,1-2H3,(H,27,30)(H,28,29);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);5-11,14H,3-4,12H2,1-2H3,(H,24,27)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)/b6-3+;2*8-5+;6-3+ |
| InChIKey | BKLOPLFQVSSFNJ-VHFQPGPUSA-N |
| XLogP | 15.64 |
| TPSA | 352.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 117 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1592.63 |
| LogP ≤ 5 | 15.64 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |