C86H77N17O10S — CID 159843439
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159843439) has the molecular formula C86H77N17O10S and a molecular weight of 1540.74 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159843439 |
| Molecular Formula | C86H77N17O10S |
| Molecular Weight | 1540.74 g/mol |
| Exact Mass | 1539.58 |
| IUPAC Name | N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccccn3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccccn3)c12 |
| InChI | InChI=1S/C25H23N5O3.C21H18N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-16-7-3-2-4-8-16)11-13-20-22(23)19(29-30-20)12-10-17-9-5-6-14-27-17;2*1-27-20-16(21(26)23-13-15-6-4-12-28-15)8-10-18-19(20)17(24-25-18)9-7-14-5-2-3-11-22-14;1-25-18-14(19(24)21-13-5-6-13)8-10-16-17(18)15(22-23-16)9-7-12-4-2-3-11-20-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2*2-12H,13H2,1H3,(H,23,26)(H,24,25);2-4,7-11,13H,5-6H2,1H3,(H,21,24)(H,22,23)/b12-10+;3*9-7+ |
| InChIKey | NOZDVIUOTCYHMA-QVAAXMOSSA-N |
| XLogP | 13.78 |
| TPSA | 375.83 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1540.74 |
| LogP ≤ 5 | 13.78 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 19 |