C124H135N25O13S — CID 163594460
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol (PubChem CID 163594460) has the molecular formula C124H135N25O13S and a molecular weight of 2215.67 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol.
| Compound Name | 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol |
|---|---|
| PubChem CID | 163594460 |
| Molecular Formula | C124H135N25O13S |
| Molecular Weight | 2215.67 g/mol |
| Exact Mass | 2214.04 |
| IUPAC Name | 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol |
| SMILES | CC1(O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.CCn1cc2c(n1)CN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.CS(=O)(=O)n1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.Cn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(-c3cn[nH]c3)cc2n1 |
| InChI | InChI=1S/C27H30N6O2.C26H32N4O3.C24H25N5O4S.C24H25N5O2.C23H23N5O2/c1-2-32-15-19-14-31(16-24(19)29-32)21-5-6-22-23(13-21)28-10-7-25(22)35-26-17-33(20-3-4-20)30-27(26)18-8-11-34-12-9-18;1-26(31)9-12-29(13-10-26)20-4-5-21-22(16-20)27-11-6-23(21)33-24-17-30(19-2-3-19)28-25(24)18-7-14-32-15-8-18;1-34(30,31)29-14-18(13-26-29)17-2-5-20-21(12-17)25-9-6-22(20)33-23-15-28(19-3-4-19)27-24(23)16-7-10-32-11-8-16;1-28-14-18(13-26-28)17-2-5-20-21(12-17)25-9-6-22(20)31-23-15-29(19-3-4-19)27-24(23)16-7-10-30-11-8-16;1-4-19-20(11-16(1)17-12-25-26-13-17)24-8-5-21(19)30-22-14-28(18-2-3-18)27-23(22)15-6-9-29-10-7-15/h5-7,10,13,15,17-18,20H,2-4,8-9,11-12,14,16H2,1H3;4-6,11,16-19,31H,2-3,7-10,12-15H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;1,4-5,8,11-15,18H,2-3,6-7,9-10H2,(H,25,26) |
| InChIKey | GSFJOOBUFGMQNN-UHFFFAOYSA-N |
| XLogP | 23.81 |
| TPSA | 388.84 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 163 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2215.67 |
| LogP ≤ 5 | 23.81 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 37 |