C100H87F3N20O13S2 — CID 157176044
N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 157176044) has the molecular formula C100H87F3N20O13S2 and a molecular weight of 1898.05 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide.
| Compound Name | N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157176044 |
| Molecular Formula | C100H87F3N20O13S2 |
| Molecular Weight | 1898.05 g/mol |
| Exact Mass | 1896.62 |
| IUPAC Name | N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3nccs3)c12.COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)nc3)c12 |
| InChI | InChI=1S/C24H21FN4O3.C21H17FN4O3.C19H17FN4O2.C19H16N4O3S.C17H16N4O2S/c1-32-23-17(24(31)27-20(14-30)16-5-3-2-4-6-16)9-11-19-22(23)18(28-29-19)10-7-15-8-12-21(25)26-13-15;1-28-20-15(21(27)24-12-14-3-2-10-29-14)6-8-17-19(20)16(25-26-17)7-4-13-5-9-18(22)23-11-13;1-26-18-13(19(25)22-12-4-5-12)6-8-15-17(18)14(23-24-15)7-2-11-3-9-16(20)21-10-11;1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16;1-23-16-11(17(22)19-10-2-3-10)4-5-12-15(16)13(21-20-12)6-7-14-18-8-9-24-14/h2-13,20,30H,14H2,1H3,(H,27,31)(H,28,29);2-11H,12H2,1H3,(H,24,27)(H,25,26);2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24);2-10H,11H2,1H3,(H,21,24)(H,22,23);4-10H,2-3H2,1H3,(H,19,22)(H,20,21)/b10-7+;7-4+;7-2+;2*7-6+/t20-;;;;/m1..../s1 |
| InChIKey | AOAAXIOVISZCGV-AANFJCIOSA-N |
| XLogP | 17.52 |
| TPSA | 446.01 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1898.05 |
| LogP ≤ 5 | 17.52 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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