C160H190ClN17O21 — CID 158739914
3-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxy-5-methoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one (PubChem CID 158739914) has the molecular formula C160H190ClN17O21 and a molecular weight of 2722.83 g/mol. Its IUPAC name is 3-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxy-5-methoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one.
| Compound Name | 3-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxy-5-methoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one |
|---|---|
| PubChem CID | 158739914 |
| Molecular Formula | C160H190ClN17O21 |
| Molecular Weight | 2722.83 g/mol |
| Exact Mass | 2720.40 |
| IUPAC Name | 3-[[1-[(2-chlorophenyl)methyl]-5-(1-methylindazol-4-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxy-5-methoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-ethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-[(2-ethoxyphenyl)methyl]-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one |
| SMILES | CC(=O)C(C)(C)OCc1cc(-c2cccc(OC3CC3)c2)n(Cc2ccccc2N2CCCC2)n1.CC(=O)C(C)(C)OCc1cc(-c2cccc3c2cnn3C)n(Cc2ccccc2Cl)n1.CCOc1cc(OC)cc(-c2cc(COC(C)(C)C(C)=O)nn2Cc2ccccc2OCC)c1.CCOc1cccc(-c2cc(COC(C)(C)C(C)=O)nn2Cc2ccccc2OCC)c1.CCOc1ccccc1Cn1nc(COC(C)(C)C(C)=O)cc1-c1ccc2cnn(CC)c2c1.CCOc1ccccc1Cn1nc(COC(C)(C)C(C)=O)cc1-c1cccc(OC2CC2)c1 |
| InChI | InChI=1S/C29H35N3O3.C27H32N4O3.C27H34N2O5.C27H32N2O4.C26H32N2O4.C24H25ClN4O2/c1-21(33)29(2,3)34-20-24-18-28(22-10-8-11-26(17-22)35-25-13-14-25)32(30-24)19-23-9-4-5-12-27(23)31-15-6-7-16-31;1-6-30-24-14-20(12-13-21(24)16-28-30)25-15-23(18-34-27(4,5)19(3)32)29-31(25)17-22-10-8-9-11-26(22)33-7-2;1-7-32-24-14-21(13-23(16-24)31-6)25-15-22(18-34-27(4,5)19(3)30)28-29(25)17-20-11-9-10-12-26(20)33-8-2;1-5-31-26-12-7-6-9-21(26)17-29-25(16-22(28-29)18-32-27(3,4)19(2)30)20-10-8-11-24(15-20)33-23-13-14-23;1-6-30-23-13-10-12-20(15-23)24-16-22(18-32-26(4,5)19(3)29)27-28(24)17-21-11-8-9-14-25(21)31-7-2;1-16(30)24(2,3)31-15-18-12-23(19-9-7-11-22-20(19)13-26-28(22)4)29(27-18)14-17-8-5-6-10-21(17)25/h4-5,8-12,17-18,25H,6-7,13-16,19-20H2,1-3H3;8-16H,6-7,17-18H2,1-5H3;9-16H,7-8,17-18H2,1-6H3;6-12,15-16,23H,5,13-14,17-18H2,1-4H3;8-16H,6-7,17-18H2,1-5H3;5-13H,14-15H2,1-4H3 |
| InChIKey | IMDUQCZUGRABFI-UHFFFAOYSA-N |
| XLogP | 31.89 |
| TPSA | 386.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 61 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2722.83 |
| LogP ≤ 5 | 31.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |