C107H101N21O13S — CID 160610035
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 160610035) has the molecular formula C107H101N21O13S and a molecular weight of 1921.19 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-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-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 160610035 |
| Molecular Formula | C107H101N21O13S |
| Molecular Weight | 1921.19 g/mol |
| Exact Mass | 1919.76 |
| IUPAC Name | N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC(CO)C(C)C)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC(Cc2ccccc2)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccncc3)c12 |
| InChI | InChI=1S/C25H23N5O3.C21H18N4O3.C21H24N4O3.C21H18N4O2S.C19H18N4O2/c1-33-23-18(25(32)28-21(24(26)31)15-17-5-3-2-4-6-17)8-10-20-22(23)19(29-30-20)9-7-16-11-13-27-14-12-16;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-13(2)18(12-26)23-21(27)15-5-7-17-19(20(15)28-3)16(24-25-17)6-4-14-8-10-22-11-9-14;1-27-20-16(21(26)23-13-15-3-2-12-28-15)5-7-18-19(20)17(24-25-18)6-4-14-8-10-22-11-9-14;1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12/h2-14,21H,15H2,1H3,(H2,26,31)(H,28,32)(H,29,30);2-12H,13H2,1H3,(H,23,26)(H,24,25);4-11,13,18,26H,12H2,1-3H3,(H,23,27)(H,24,25);2-12H,13H2,1H3,(H,23,26)(H,24,25);2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23)/b9-7+;3*6-4+;6-2+ |
| InChIKey | RFJVGAFEYJIKCD-SHCLQIBYSA-N |
| XLogP | 16.66 |
| TPSA | 475.96 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1921.19 |
| LogP ≤ 5 | 16.66 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |