C63H62F10N14O5 — CID 160544141
(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 160544141) has the molecular formula C63H62F10N14O5 and a molecular weight of 1285.26 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
| Compound Name | (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
|---|---|
| PubChem CID | 160544141 |
| Molecular Formula | C63H62F10N14O5 |
| Molecular Weight | 1285.26 g/mol |
| Exact Mass | 1284.49 |
| IUPAC Name | (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
| SMILES | CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2.Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)n1 |
| InChI | InChI=1S/C23H21F3N6O.C21H23F3N4O2.C19H18F4N4O2/c1-13-3-5-17(21-27-7-2-8-28-21)20(31-13)22(33)32-16-4-6-18(32)14(9-16)10-19-29-11-15(12-30-19)23(24,25)26;1-3-30-17-7-4-12(2)27-19(17)20(29)28-15-5-6-16(28)13(8-15)9-18-25-10-14(11-26-18)21(22,23)24;1-29-16-12(3-2-4-13(16)20)17(28)27-11-5-6-15(27)14(7-11)26-18-24-8-10(9-25-18)19(21,22)23/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;4,7,10-11,13,15-16H,3,5-6,8-9H2,1-2H3;2-4,8-9,11,14-15H,5-7H2,1H3,(H,24,25,26) |
| InChIKey | QXEQPXKTXDWQIJ-UHFFFAOYSA-N |
| XLogP | 11.23 |
| TPSA | 220.32 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 92 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1285.26 |
| LogP ≤ 5 | 11.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |