C106H119N33O12 — CID 163951506
ethyl 1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]pyrazole-3-carboxylate;3-methoxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile;4-[2-(methoxymethyl)-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-pyridin-3-ylpyrazol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 163951506) has the molecular formula C106H119N33O12 and a molecular weight of 2047.34 g/mol. Its IUPAC name is ethyl 1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]pyrazole-3-carboxylate;3-methoxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile;4-[2-(methoxymethyl)-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-pyridin-3-ylpyrazol-1-yl)pyrimidin-4-yl]morpholine.
| Compound Name | ethyl 1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]pyrazole-3-carboxylate;3-methoxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile;4-[2-(methoxymethyl)-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-pyridin-3-ylpyrazol-1-yl)pyrimidin-4-yl]morpholine |
|---|---|
| PubChem CID | 163951506 |
| Molecular Formula | C106H119N33O12 |
| Molecular Weight | 2047.34 g/mol |
| Exact Mass | 2045.97 |
| IUPAC Name | ethyl 1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]pyrazole-3-carboxylate;3-methoxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile;4-[2-(methoxymethyl)-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-(3-pyridin-3-ylpyrazol-1-yl)pyrimidin-4-yl]morpholine |
| SMILES | CCOC(=O)c1ccn(-c2cc(N3CCOCC3)nc(OCCc3cnn(C)c3)n2)n1.COC(CC#N)c1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1.COCc1nc(N2CCOCC2)cc(-n2ccc(-c3ccccc3)n2)n1.Cn1cc(CCOc2nc(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)n2)cn1.Cn1cc(CCOc2nc(N3CCOCC3)cc(-n3ccc(-c4cccnc4)n3)n2)cn1 |
| InChI | InChI=1S/C23H25N7O2.C22H24N8O2.C22H24N6O2.C20H25N7O4.C19H21N5O2/c1-28-17-18(16-24-28)8-12-32-23-25-21(29-10-13-31-14-11-29)15-22(26-23)30-9-7-20(27-30)19-5-3-2-4-6-19;1-28-16-17(14-24-28)5-10-32-22-25-20(29-8-11-31-12-9-29)13-21(26-22)30-7-4-19(27-30)18-3-2-6-23-15-18;1-16-4-3-5-17(14-16)18-7-9-28(26-18)21-15-20(27-10-12-30-13-11-27)24-22(25-21)19(29-2)6-8-23;1-3-30-19(28)16-4-6-27(24-16)18-12-17(26-7-10-29-11-8-26)22-20(23-18)31-9-5-15-13-21-25(2)14-15;1-25-14-17-20-18(23-9-11-26-12-10-23)13-19(21-17)24-8-7-16(22-24)15-5-3-2-4-6-15/h2-7,9,15-17H,8,10-14H2,1H3;2-4,6-7,13-16H,5,8-12H2,1H3;3-5,7,9,14-15,19H,6,10-13H2,1-2H3;4,6,12-14H,3,5,7-11H2,1-2H3;2-8,13H,9-12,14H2,1H3 |
| InChIKey | RZSNHFJIIVNTKL-UHFFFAOYSA-N |
| XLogP | 10.86 |
| TPSA | 442.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2047.34 |
| LogP ≤ 5 | 10.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 45 |