C105H116F9N25O7 — CID 158805480
7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 158805480) has the molecular formula C105H116F9N25O7 and a molecular weight of 2011.23 g/mol. Its IUPAC name is 7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.
| Compound Name | 7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide |
|---|---|
| PubChem CID | 158805480 |
| Molecular Formula | C105H116F9N25O7 |
| Molecular Weight | 2011.23 g/mol |
| Exact Mass | 2009.93 |
| IUPAC Name | 7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide |
| SMILES | CC(C)CC1COCCN1Cc1ccc2c(-c3cnn(C)c3)cc(C(N)=O)nc2c1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)C[C@@H](C(F)(F)F)O1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(C(F)(F)F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)(F)CC4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC(F)CC4)ccc23)cn1 |
| InChI | InChI=1S/C23H29N5O2.C21H22F3N5O2.C21H22F3N5O.C20H21F2N5O.C20H22FN5O/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16;1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13;1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24;1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27;1-25-12-14(10-23-25)17-9-19(20(22)27)24-18-8-13(2-3-16(17)18)11-26-6-4-15(21)5-7-26/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29);3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30);2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30);2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28);2-3,8-10,12,15H,4-7,11H2,1H3,(H2,22,27)/t;12-,19-;;;/m.0.../s1 |
| InChIKey | IUAGPCSGBMOOQX-QGYFEPDESA-N |
| XLogP | 15.01 |
| TPSA | 403.66 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2011.23 |
| LogP ≤ 5 | 15.01 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |