C118H134FN25O5 — CID 159896561
cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 159896561) has the molecular formula C118H134FN25O5 and a molecular weight of 2001.54 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
| Compound Name | cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one |
|---|---|
| PubChem CID | 159896561 |
| Molecular Formula | C118H134FN25O5 |
| Molecular Weight | 2001.54 g/mol |
| Exact Mass | 2000.10 |
| IUPAC Name | cyclohexyl-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2,2-dimethyl-1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one;2-(3-fluorophenyl)-1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]ethanone;1-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;1-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one |
| SMILES | C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C(C)(C)C.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)C1CCCCC1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)CCc1ccccc1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)Cc1cccc(F)c1 |
| InChI | InChI=1S/2C25H27N5O.C24H24FN5O.C23H29N5O.C21H27N5O/c2*1-18-11-20(16-29(18)25(31)10-7-19-5-3-2-4-6-19)17-30-24-9-8-21(12-22(24)15-28-30)23-13-26-27-14-23;1-16-7-18(14-29(16)24(31)9-17-3-2-4-22(25)8-17)15-30-23-6-5-19(10-20(23)13-28-30)21-11-26-27-12-21;1-16-9-17(14-27(16)23(29)18-5-3-2-4-6-18)15-28-22-8-7-19(10-20(22)13-26-28)21-11-24-25-12-21;1-14-7-15(12-25(14)20(27)21(2,3)4)13-26-19-6-5-16(8-17(19)11-24-26)18-9-22-23-10-18/h2*2-6,8-9,12-15,18,20H,7,10-11,16-17H2,1H3,(H,26,27);2-6,8,10-13,16,18H,7,9,14-15H2,1H3,(H,26,27);7-8,10-13,16-18H,2-6,9,14-15H2,1H3,(H,24,25);5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,22,23)/t2*18-,20?;16-,18?;16-,17?;14-,15?/m10001/s1 |
| InChIKey | NVKKMSADBRBFOS-HROBJQEJSA-N |
| XLogP | 20.59 |
| TPSA | 334.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2001.54 |
| LogP ≤ 5 | 20.59 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |