C119H143N23O15S3 — CID 158987681
2-[4-[[4-[(4-tert-butyl-2-cyclopropyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[4-[[4-[[2-cyclopropyl-4-(oxan-4-yl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(oxan-4-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 158987681) has the molecular formula C119H143N23O15S3 and a molecular weight of 2231.80 g/mol. Its IUPAC name is 2-[4-[[4-[(4-tert-butyl-2-cyclopropyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[4-[[4-[[2-cyclopropyl-4-(oxan-4-yl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(oxan-4-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
| Compound Name | 2-[4-[[4-[(4-tert-butyl-2-cyclopropyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[4-[[4-[[2-cyclopropyl-4-(oxan-4-yl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(oxan-4-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
|---|---|
| PubChem CID | 158987681 |
| Molecular Formula | C119H143N23O15S3 |
| Molecular Weight | 2231.80 g/mol |
| Exact Mass | 2230.03 |
| IUPAC Name | 2-[4-[[4-[(4-tert-butyl-2-cyclopropyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-cyclopropyl-3-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]benzenesulfonamide;2-[4-[[4-[[2-cyclopropyl-4-(oxan-4-yl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-(oxan-4-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol |
| SMILES | CC(C)(C)c1nc(C2CC2)sc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1.CC(C)(O)c1cc(Nc2cc(Oc3c(C4CCOCC4)nn4c3CCC4)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3sc(C4CC4)nc3C3CCOCC3)ccn2)ccn1.C[C@@H]1CC(c2nn(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.NS(=O)(=O)c1ccc(Nc2cc(Oc3cn(C4CC4)nc3C3CCOCC3)ccn2)cc1 |
| InChI | InChI=1S/C26H33N5O3.C24H29N5O3.C24H28N4O3S.C23H28N4O2S.C22H25N5O4S/c1-16-11-18(12-17(2)33-16)25-22(15-31(30-25)20-5-6-20)34-21-8-10-28-24(14-21)29-19-7-9-27-23(13-19)26(3,4)32;1-24(2,30)20-14-17(5-9-25-20)27-21-15-18(6-10-26-21)32-23-19-4-3-11-29(19)28-22(23)16-7-12-31-13-8-16;1-24(2,29)19-13-17(5-9-25-19)27-20-14-18(6-10-26-20)31-23-21(15-7-11-30-12-8-15)28-22(32-23)16-3-4-16;1-22(2,3)19-21(30-20(27-19)14-6-7-14)29-16-9-11-25-18(13-16)26-15-8-10-24-17(12-15)23(4,5)28;23-32(28,29)19-5-1-16(2-6-19)25-21-13-18(7-10-24-21)31-20-14-27(17-3-4-17)26-22(20)15-8-11-30-12-9-15/h7-10,13-18,20,32H,5-6,11-12H2,1-4H3,(H,27,28,29);5-6,9-10,14-16,30H,3-4,7-8,11-13H2,1-2H3,(H,25,26,27);5-6,9-10,13-16,29H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27);8-14,28H,6-7H2,1-5H3,(H,24,25,26);1-2,5-7,10,13-15,17H,3-4,8-9,11-12H2,(H,24,25)(H2,23,28,29)/t16-,17+,18?;;;; |
| InChIKey | JPTSMMMTJUTWLL-TXPIBHHISA-N |
| XLogP | 24.75 |
| TPSA | 479.55 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.80 |
| LogP ≤ 5 | 24.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 39 |