C113H133F3N26O14 — CID 157126069
2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 157126069) has the molecular formula C113H133F3N26O14 and a molecular weight of 2136.47 g/mol. Its IUPAC name is 2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
| Compound Name | 2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
|---|---|
| PubChem CID | 157126069 |
| Molecular Formula | C113H133F3N26O14 |
| Molecular Weight | 2136.47 g/mol |
| Exact Mass | 2135.04 |
| IUPAC Name | 2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[6-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxypyrimidin-4-yl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-(1,3-dicyclopropylpyrazol-5-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-(oxan-4-yl)-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)nn3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C4CC4)nn3C3CCOCC3)ncn2)ccn1.Cc1cc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n(C2CCOCC2)n1 |
| InChI | InChI=1S/C24H29N5O3.C23H28N6O3.C22H24F3N5O3.C22H27N5O3.C22H25N5O2/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-23-15-20(16-3-4-16)28-29(23)18-7-11-31-12-8-18;1-23(2,30)19-11-16(5-8-24-19)27-20-13-21(26-14-25-20)32-22-12-18(15-3-4-15)28-29(22)17-6-9-31-10-7-17;1-21(2,31)17-11-14(3-7-26-17)28-19-12-16(4-8-27-19)33-20-13-18(22(23,24)25)29-30(20)15-5-9-32-10-6-15;1-15-12-21(27(26-15)17-6-10-29-11-7-17)30-18-5-9-24-20(14-18)25-16-4-8-23-19(13-16)22(2,3)28;1-22(2,28)19-11-15(7-9-23-19)25-20-12-17(8-10-24-20)29-21-13-18(14-3-4-14)26-27(21)16-5-6-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);5,8,11-15,17,30H,3-4,6-7,9-10H2,1-2H3,(H,24,25,26,27);3-4,7-8,11-13,15,31H,5-6,9-10H2,1-2H3,(H,26,27,28);4-5,8-9,12-14,17,28H,6-7,10-11H2,1-3H3,(H,23,24,25);7-14,16,28H,3-6H2,1-2H3,(H,23,24,25) |
| InChIKey | AINCTZVBIAICLW-UHFFFAOYSA-N |
| XLogP | 22.28 |
| TPSA | 475.26 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2136.47 |
| LogP ≤ 5 | 22.28 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 40 |