C89H122Cl5N25O16S — CID 157077571
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide;(2R)-2-aminopropan-1-ol;3-[[1-[6-chloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine;5-(1-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine;[(2S)-oxolan-2-yl]methanol (PubChem CID 157077571) has the molecular formula C89H122Cl5N25O16S and a molecular weight of 2007.45 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide;(2R)-2-aminopropan-1-ol;3-[[1-[6-chloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine;5-(1-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine;[(2S)-oxolan-2-yl]methanol.
| Compound Name | 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide;(2R)-2-aminopropan-1-ol;3-[[1-[6-chloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine;5-(1-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine;[(2S)-oxolan-2-yl]methanol |
|---|---|
| PubChem CID | 157077571 |
| Molecular Formula | C89H122Cl5N25O16S |
| Molecular Weight | 2007.45 g/mol |
| Exact Mass | 2003.77 |
| IUPAC Name | 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide;(2R)-2-aminopropan-1-ol;3-[[1-[6-chloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine;4,6-dichloro-2-methylsulfonylpyrimidine;4,6-dichloro-2-[[(2S)-oxolan-2-yl]methoxy]pyrimidine;5-(1-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine;[(2S)-oxolan-2-yl]methanol |
| SMILES | CS(=O)(=O)c1nc(Cl)cc(Cl)n1.C[C@@H](N)CO.C[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@@H]2CCCO2)n1.Clc1cc(Cl)nc(OC[C@@H]2CCCO2)n1.Cn1cnc(-c2cnc(N)c(OCC3CCN(c4cc(Cl)nc(OC[C@@H]5CCCO5)n4)CC3)c2)c1.Cn1cnc(-c2cnc(N)c(OCC3CCNCC3)c2)c1.OC[C@@H]1CCCO1 |
| InChI | InChI=1S/C28H38N8O5.C24H30ClN7O3.C15H21N5O.C9H10Cl2N2O2.C5H4Cl2N2O2S.C5H10O2.C3H9NO/c1-18(14-37)32-27(38)22-11-25(34-28(33-22)41-16-21-4-3-9-39-21)36-7-5-19(6-8-36)15-40-24-10-20(12-30-26(24)29)23-13-35(2)17-31-23;1-31-12-19(28-15-31)17-9-20(23(26)27-11-17)34-13-16-4-6-32(7-5-16)22-10-21(25)29-24(30-22)35-14-18-3-2-8-33-18;1-20-8-13(19-10-20)12-6-14(15(16)18-7-12)21-9-11-2-4-17-5-3-11;10-7-4-8(11)13-9(12-7)15-5-6-2-1-3-14-6;1-12(10,11)5-8-3(6)2-4(7)9-5;6-4-5-2-1-3-7-5;1-3(4)2-5/h10-13,17-19,21,37H,3-9,14-16H2,1-2H3,(H2,29,30)(H,32,38);9-12,15-16,18H,2-8,13-14H2,1H3,(H2,26,27);6-8,10-11,17H,2-5,9H2,1H3,(H2,16,18);4,6H,1-3,5H2;2H,1H3;5-6H,1-4H2;3,5H,2,4H2,1H3/t18-,21+;18-;;6-;;5-;3-/m10.0.01/s1 |
| InChIKey | ADDOGIWMYGVOAE-DTWTZTKJSA-N |
| XLogP | 9.63 |
| TPSA | 534.07 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2007.45 |
| LogP ≤ 5 | 9.63 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 40 |