C161H252ClFN38O5 — CID 161471355
4-tert-butylmorpholine;2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N-methyl-5-propan-2-ylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine (PubChem CID 161471355) has the molecular formula C161H252ClFN38O5 and a molecular weight of 2854.50 g/mol. Its IUPAC name is 4-tert-butylmorpholine;2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N-methyl-5-propan-2-ylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine.
| Compound Name | 4-tert-butylmorpholine;2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N-methyl-5-propan-2-ylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine |
|---|---|
| PubChem CID | 161471355 |
| Molecular Formula | C161H252ClFN38O5 |
| Molecular Weight | 2854.50 g/mol |
| Exact Mass | 2852.03 |
| IUPAC Name | 4-tert-butylmorpholine;2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N-methyl-5-propan-2-ylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine |
| SMILES | CC(C)(C)N1CCOCC1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(O)cn1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cnc(Cl)cn1.CC(C)c1cnc(N(C)C)cn1.CC(C)c1cnc(N)cn1.CC(C)c1cnc(N2CCCC2)cn1.CC(C)c1cnc(N2CCCCC2)cn1.CC(C)c1cnc(N2CCN(C)CC2)cn1.CC(C)c1cnc(N2CCOCC2)cn1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1cnc(C(C)C)cn1.CCN(CC)c1ccc(C(C)C)cn1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)cn1 |
| InChI | InChI=1S/C13H21N3.C12H20N4.C12H19N3.C12H20N2.C11H17N3O.C11H17N3.C10H17N3.C9H15N3.C9H13N.C8H10FN.C8H12N2O.C8H12N2.C8H17NO.2C8H11NO.C7H9ClN2.C7H11N3/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)11-8-14-12(9-13-11)16-6-4-15(3)5-7-16;1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-5-14(6-2)12-8-7-11(9-13-12)10(3)4;1-9(2)10-7-13-11(8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-5-13(4)10-7-11-9(6-12-10)8(2)3;1-7(2)8-5-11-9(6-10-8)12(3)4;1-7(2)9-4-5-10-8(3)6-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-5-9-7(3)4-10-8;1-8(2,3)9-4-6-10-7-5-9;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;2*1-5(2)6-3-10-7(8)4-9-6/h8-11H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,5-6H2,1-4H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,5H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3;3-5H,1-2H3,(H2,8,10) |
| InChIKey | WDCXOFQTEAFFCU-UHFFFAOYSA-N |
| XLogP | 33.52 |
| TPSA | 474.34 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 206 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2854.50 |
| LogP ≤ 5 | 33.52 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 42 |