C84H67F6N21O5 — CID 162166854
7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone (PubChem CID 162166854) has the molecular formula C84H67F6N21O5 and a molecular weight of 1564.59 g/mol. Its IUPAC name is 7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone.
| Compound Name | 7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone |
|---|---|
| PubChem CID | 162166854 |
| Molecular Formula | C84H67F6N21O5 |
| Molecular Weight | 1564.59 g/mol |
| Exact Mass | 1563.55 |
| IUPAC Name | 7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone |
| SMILES | CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cccnc3C(F)(F)F)cc2n1.COc1ncc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C#N)c4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1 |
| InChI | InChI=1S/C22H17F3N4O.C21H16F3N5O.C21H16N6O.C20H18N6O2/c1-13(30)19-10-18(16-11-27-29(2)12-16)17-6-5-14(9-20(17)28-19)8-15-4-3-7-26-21(15)22(23,24)25;1-29-11-14(10-27-29)16-9-18(20(25)30)28-17-7-12(2-3-15(16)17)6-13-4-5-26-19(8-13)21(22,23)24;1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22;1-26-11-14(10-24-26)16-7-18(19(21)27)25-17-6-12(3-4-15(16)17)5-13-8-22-20(28-2)23-9-13/h3-7,9-12H,8H2,1-2H3;2-5,7-11H,6H2,1H3,(H2,25,30);2-5,7-9,11-12H,6H2,1H3,(H2,23,28);3-4,6-11H,5H2,1-2H3,(H2,21,27) |
| InChIKey | ZNGBJJMESIVUFN-UHFFFAOYSA-N |
| XLogP | 13.30 |
| TPSA | 366.65 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 116 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1564.59 |
| LogP ≤ 5 | 13.30 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |