C114H113F9N26O10 — CID 159440649
2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(cyclopropylmethyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 159440649) has the molecular formula C114H113F9N26O10 and a molecular weight of 2178.31 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(cyclopropylmethyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
| Compound Name | 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(cyclopropylmethyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
|---|---|
| PubChem CID | 159440649 |
| Molecular Formula | C114H113F9N26O10 |
| Molecular Weight | 2178.31 g/mol |
| Exact Mass | 2176.90 |
| IUPAC Name | 2-[4-[[4-[1-cyclopropyl-3-[(2-fluoroanilino)methyl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(cyclopropylmethyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[1-(3-fluoro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
| SMILES | CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ncccc3F)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3CNc3ccccc3F)ccn2)ccn1.CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ncccc3F)ccn2)cn1.CCc1nc(C)ccc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(CC2CC2)n1 |
| InChI | InChI=1S/C26H27FN6O2.C23H26N4O2.2C22H18F4N6O2.C21H24N4O2/c1-26(2,34)24-13-17(9-11-28-24)31-25-14-19(10-12-29-25)35-23-16-33(18-7-8-18)32-22(23)15-30-21-6-4-3-5-20(21)27;1-15-4-7-20(19(26-15)12-16-5-6-16)29-18-9-11-25-22(14-18)27-17-8-10-24-21(13-17)23(2,3)28;1-21(2,33)16-10-13(5-8-27-16)30-18-11-14(6-9-28-18)34-19-12-17(22(24,25)26)31-32(19)20-15(23)4-3-7-29-20;1-21(2,33)16-6-5-13(12-29-16)30-18-10-14(7-9-27-18)34-19-11-17(22(24,25)26)31-32(19)20-15(23)4-3-8-28-20;1-5-17-18(7-6-14(2)24-17)27-16-9-11-23-20(13-16)25-15-8-10-22-19(12-15)21(3,4)26/h3-6,9-14,16,18,30,34H,7-8,15H2,1-2H3,(H,28,29,31);4,7-11,13-14,16,28H,5-6,12H2,1-3H3,(H,24,25,27);3-12,33H,1-2H3,(H,27,28,30);3-12,33H,1-2H3,(H,27,30);6-13,26H,5H2,1-4H3,(H,22,23,25) |
| InChIKey | LSCYWDKXXVVUON-UHFFFAOYSA-N |
| XLogP | 24.88 |
| TPSA | 453.40 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2178.31 |
| LogP ≤ 5 | 24.88 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 36 |