C252H298Cl4F12N50O15 — CID 158976898
tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-(4-chloro-3-fluorophenyl)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one;bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-methylphenyl)methyl]-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 158976898) has the molecular formula C252H298Cl4F12N50O15 and a molecular weight of 4637.28 g/mol. Its IUPAC name is tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-(4-chloro-3-fluorophenyl)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one;bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-methylphenyl)methyl]-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one.
| Compound Name | tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-(4-chloro-3-fluorophenyl)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one;bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-methylphenyl)methyl]-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one |
|---|---|
| PubChem CID | 158976898 |
| Molecular Formula | C252H298Cl4F12N50O15 |
| Molecular Weight | 4637.28 g/mol |
| Exact Mass | 4632.27 |
| IUPAC Name | tris(1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-(4-chloro-3-fluorophenyl)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one;bis(1-(3-fluoro-4-methylphenyl)-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);tris(1-[(4-fluorophenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);bis(1-[(4-methylphenyl)methyl]-3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one);1-[(4-methylphenyl)methyl]-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-one |
| SMILES | Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ccc(C)cn4)CC3)C2=O)cc1.Cc1ccc(CN2CCC(N3CCN(c4ncc(C)cn4)CC3)C2=O)cc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(C)c(F)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1ccc(N2CCN(C3CCN(c4ccc(OC(F)F)c(Cl)c4)C3=O)CC2)nc1.Cc1cnc(N2CCN(C3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)nc1 |
| InChI | InChI=1S/2C22H28N4O.3C21H23ClF2N4O2.5C21H25FN4O.C21H27N5O.C19H21ClFN5O/c2*1-17-3-6-19(7-4-17)16-26-10-9-20(22(26)27)24-11-13-25(14-12-24)21-8-5-18(2)15-23-21;3*1-14-2-5-19(25-13-14)27-10-8-26(9-11-27)17-6-7-28(20(17)29)15-3-4-18(16(22)12-15)30-21(23)24;2*1-15-3-6-20(23-14-15)25-11-9-24(10-12-25)19-7-8-26(21(19)27)17-5-4-16(2)18(22)13-17;3*1-16-2-7-20(23-14-16)25-12-10-24(11-13-25)19-8-9-26(21(19)27)15-17-3-5-18(22)6-4-17;1-16-3-5-18(6-4-16)15-26-8-7-19(20(26)27)24-9-11-25(12-10-24)21-22-13-17(2)14-23-21;1-13-11-22-19(23-12-13)25-8-6-24(7-9-25)17-4-5-26(18(17)27)14-2-3-15(20)16(21)10-14/h2*3-8,15,20H,9-14,16H2,1-2H3;3*2-5,12-13,17,21H,6-11H2,1H3;2*3-6,13-14,19H,7-12H2,1-2H3;3*2-7,14,19H,8-13,15H2,1H3;3-6,13-14,19H,7-12,15H2,1-2H3;2-3,10-12,17H,4-9H2,1H3 |
| InChIKey | JOMTZXKPUNCXSE-UHFFFAOYSA-N |
| XLogP | 33.37 |
| TPSA | 529.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 333 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4637.28 |
| LogP ≤ 5 | 33.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 53 |