C94H124Cl4N30O14 — CID 157080578
6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine (PubChem CID 157080578) has the molecular formula C94H124Cl4N30O14 and a molecular weight of 2040.03 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine.
| Compound Name | 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine |
|---|---|
| PubChem CID | 157080578 |
| Molecular Formula | C94H124Cl4N30O14 |
| Molecular Weight | 2040.03 g/mol |
| Exact Mass | 2036.87 |
| IUPAC Name | 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine |
| SMILES | C.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(Cl)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC[C@@H](C)O.Cn1cncc1-c1cnc(N)c(OCC2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)c1.Cn1cncc1-c1cnc(N)c(OCC2CCNCC2)c1 |
| InChI | InChI=1S/C26H36N8O4.C22H27ClN8O2.C20H22ClN7O3.C15H21N5O.C6H4Cl2N2O2.C4H10O2.CH4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3;1-3-26-21(32)16-9-19(29-22(23)28-16)31-6-4-14(5-7-31)12-33-18-8-15(10-27-20(18)24)17-11-25-13-30(17)2;1-27-11-23-9-15(27)13-6-16(18(22)24-8-13)31-10-12-2-4-28(5-3-12)17-7-14(19(29)30)25-20(21)26-17;1-20-10-18-8-13(20)12-6-14(15(16)19-7-12)21-9-11-2-4-17-5-3-11;1-12-5(11)3-2-4(7)10-6(8)9-3;1-4(5)3-6-2;/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35);8-11,13-14H,3-7,12H2,1-2H3,(H2,24,27)(H,26,32);6-9,11-12H,2-5,10H2,1H3,(H2,22,24)(H,29,30);6-8,10-11,17H,2-5,9H2,1H3,(H2,16,19);2H,1H3;4-5H,3H2,1-2H3;1H4/t17-;;;;;4-;/m1....1./s1 |
| InChIKey | ADMMQHDFUUVLDX-OOIWYMBHSA-N |
| XLogP | 11.03 |
| TPSA | 558.43 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2040.03 |
| LogP ≤ 5 | 11.03 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 41 |