7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
C121H121Cl2F18N23O6S2 — CID 160581251
Data last refreshed: (MolForge compound catalog, from PubChem)
About 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 160581251) has the molecular formula C121H121Cl2F18N23O6S2 and a molecular weight of 2470.46 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
Molecular Properties
| Compound Name | 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine |
|---|---|
| PubChem CID | 160581251 |
| Molecular Formula | C121H121Cl2F18N23O6S2 |
| Molecular Weight | 2470.46 g/mol |
| Exact Mass | 2467.84 |
| IUPAC Name | 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine |
| SMILES | CC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3Cl)C4)ccc21.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1Cl)C2.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ccccc2C(F)(F)F)C3)cc1 |
| InChI | InChI=1S/C28H33F3N6O2S.C27H32ClN5O2S.C23H20F6N4O.C22H20ClF3N4O.C21H16F6N4/c1-27(2)11-14-36(12-5-15-40(32,38)39)25-16-19(8-9-21(25)27)35-26-20-10-13-37(17-23(20)33-18-34-26)24-7-4-3-6-22(24)28(29,30)31;1-27(2)11-13-32(14-15-36(3,34)35)25-16-19(8-9-21(25)27)31-26-20-10-12-33(17-23(20)29-18-30-26)24-7-5-4-6-22(24)28;1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26;1-31-13-20-28-18-12-30(19-5-3-2-4-17(19)23)11-10-16(18)21(29-20)27-15-8-6-14(7-9-15)22(24,25)26;22-20(23,24)13-5-7-14(8-6-13)30-19-15-9-10-31(11-17(15)28-12-29-19)18-4-2-1-3-16(18)21(25,26)27/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H2,32,38,39)(H,33,34,35);4-9,16,18H,10-15,17H2,1-3H3,(H,29,30,31);2-9H,10-13H2,1H3,(H,30,31,32);2-9H,10-13H2,1H3,(H,27,28,29);1-8,12H,9-11H2,(H,28,29,30) |
| InChIKey | RBUSKUQIQPTZDK-UHFFFAOYSA-N |
| XLogP | 27.33 |
| TPSA | 324.49 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2470.46 |
| LogP ≤ 5 | 27.33 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |
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Sources
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