C121H147F3N24O13S — CID 161167626
2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 161167626) has the molecular formula C121H147F3N24O13S and a molecular weight of 2234.72 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
| Compound Name | 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
|---|---|
| PubChem CID | 161167626 |
| Molecular Formula | C121H147F3N24O13S |
| Molecular Weight | 2234.72 g/mol |
| Exact Mass | 2233.13 |
| IUPAC Name | 2-[4-[[4-[1-cyclobutyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopentyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]sulfanyl-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[6-methyl-2-(2-methylpropyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[3-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
| SMILES | CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CCCC4)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cn(CC(F)(F)F)nc3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Sc3cn(C4CC4)nc3C3CCOCC3)ccn2)ccn1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(CC(C)C)n1 |
| InChI | InChI=1S/C26H33N5O3.C25H31N5O3.C24H29N5O2S.C23H26F3N5O3.C23H28N4O2/c1-26(2,32)23-15-19(7-11-27-23)29-24-16-21(8-12-28-24)34-22-17-31(20-5-3-4-6-20)30-25(22)18-9-13-33-14-10-18;1-25(2,31)22-14-18(6-10-26-22)28-23-15-20(7-11-27-23)33-21-16-30(19-4-3-5-19)29-24(21)17-8-12-32-13-9-17;1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16;1-22(2,32)19-11-16(3-7-27-19)29-20-12-17(4-8-28-20)34-18-13-31(14-23(24,25)26)30-21(18)15-5-9-33-10-6-15;1-15(2)12-19-20(7-6-16(3)26-19)29-18-9-11-25-22(14-18)27-17-8-10-24-21(13-17)23(4,5)28/h7-8,11-12,15-18,20,32H,3-6,9-10,13-14H2,1-2H3,(H,27,28,29);6-7,10-11,14-17,19,31H,3-5,8-9,12-13H2,1-2H3,(H,26,27,28);5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);3-4,7-8,11-13,15,32H,5-6,9-10,14H2,1-2H3,(H,27,28,29);6-11,13-15,28H,12H2,1-5H3,(H,24,25,27) |
| InChIKey | UQTJFFIXIPHFKQ-UHFFFAOYSA-N |
| XLogP | 25.56 |
| TPSA | 448.21 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2234.72 |
| LogP ≤ 5 | 25.56 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 38 |