C138H147F4N27O18S6 — CID 158526050
2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide (PubChem CID 158526050) has the molecular formula C138H147F4N27O18S6 and a molecular weight of 2740.26 g/mol. Its IUPAC name is 2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide.
| Compound Name | 2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide |
|---|---|
| PubChem CID | 158526050 |
| Molecular Formula | C138H147F4N27O18S6 |
| Molecular Weight | 2740.26 g/mol |
| Exact Mass | 2737.97 |
| IUPAC Name | 2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide;2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide |
| SMILES | Cc1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1 |
| InChI | InChI=1S/C23H22FN5O3S.C23H24FN5O3S.C23H25FN4O3S.C23H27FN4O3S.C23H23N5O3S.C23H26N4O3S/c1-14(2)29-10-8-23(27-29)33(31,32)28-22(30)13-19-16-5-4-6-17(16)20(24)12-18(19)15-7-9-26-21(11-15)25-3;1-14(2)18-11-17(24)12-19(16-6-8-26-21(10-16)25-5)20(18)13-22(30)28-33(31,32)23-7-9-29(27-23)15(3)4;1-14(2)28-10-8-23(26-28)32(30,31)27-22(29)13-20-17-5-4-6-18(17)21(24)12-19(20)16-7-9-25-15(3)11-16;1-14(2)19-11-18(24)12-20(17-6-8-25-16(5)10-17)21(19)13-22(29)27-32(30,31)23-7-9-28(26-23)15(3)4;1-15(2)28-12-10-23(26-28)32(30,31)27-22(29)14-20-18-6-4-5-16(18)7-8-19(20)17-9-11-25-21(13-17)24-3;1-15(2)27-12-10-23(25-27)31(29,30)26-22(28)14-21-19-6-4-5-17(19)7-8-20(21)18-9-11-24-16(3)13-18/h7-12,14H,4-6,13H2,1-2H3,(H,28,30);6-12,14-15H,13H2,1-4H3,(H,28,30);7-12,14H,4-6,13H2,1-3H3,(H,27,29);6-12,14-15H,13H2,1-5H3,(H,27,29);7-13,15H,4-6,14H2,1-2H3,(H,27,29);7-13,15H,4-6,14H2,1-3H3,(H,26,28) |
| InChIKey | HMUITRBQWIEZNE-UHFFFAOYSA-N |
| XLogP | 22.78 |
| TPSA | 576.78 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2740.26 |
| LogP ≤ 5 | 22.78 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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