C90H92N18O16S — CID 158308783
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158308783) has the molecular formula C90H92N18O16S and a molecular weight of 1713.90 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158308783 |
| Molecular Formula | C90H92N18O16S |
| Molecular Weight | 1713.90 g/mol |
| Exact Mass | 1712.67 |
| IUPAC Name | N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(C)C)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(CO)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NC(Cc4ccccc4)C(N)=O)c(OC)c23)cn1.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1 |
| InChI | InChI=1S/C26H25N5O4.C22H26N4O4.C22H20N4O3S.C20H21N5O5/c1-34-22-13-9-17(15-28-22)8-11-19-23-20(31-30-19)12-10-18(24(23)35-2)26(33)29-21(25(27)32)14-16-6-4-3-5-7-16;1-13(2)18(12-27)24-22(28)15-7-9-17-20(21(15)30-4)16(25-26-17)8-5-14-6-10-19(29-3)23-11-14;1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15;1-29-16-8-4-11(9-22-16)3-6-13-17-14(25-24-13)7-5-12(18(17)30-2)20(28)23-15(10-26)19(21)27/h3-13,15,21H,14H2,1-2H3,(H2,27,32)(H,29,33)(H,30,31);5-11,13,18,27H,12H2,1-4H3,(H,24,28)(H,25,26);3-12H,13H2,1-2H3,(H,24,27)(H,25,26);3-9,15,26H,10H2,1-2H3,(H2,21,27)(H,23,28)(H,24,25)/b11-8+;2*8-5+;6-3+ |
| InChIKey | GNKPBVZRWIMOKS-YACIMTDKSA-N |
| XLogP | 10.72 |
| TPSA | 483.16 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 125 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1713.90 |
| LogP ≤ 5 | 10.72 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 25 |