C92H89F3N20O9 — CID 160636126
[6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 160636126) has the molecular formula C92H89F3N20O9 and a molecular weight of 1675.85 g/mol. Its IUPAC name is [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
| Compound Name | [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone |
|---|---|
| PubChem CID | 160636126 |
| Molecular Formula | C92H89F3N20O9 |
| Molecular Weight | 1675.85 g/mol |
| Exact Mass | 1674.71 |
| IUPAC Name | [6-[[4-(fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone;[2-(5-fluoropyrimidin-2-yl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[[4-(hydroxymethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone |
| SMILES | Cc1ccc(OC2CC3CC2N(C(=O)c2ccc(C)nc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncc(F)cn2)C3)nc1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CF)ccn4)C2C3)c(-c2ncccn2)c1.Cc1cnc(C(=O)N2CC3CC(Oc4cc(CO)ccn4)C2C3)c(-c2ncccn2)c1 |
| InChI | InChI=1S/3C23H22FN5O2.C23H23N5O3/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)17-5-4-14(2)28-21(17)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)21-17(5-14(2)9-26-21)22-27-10-16(24)11-28-22;1-14-7-17(22-26-4-2-5-27-22)21(28-12-14)23(30)29-13-16-8-18(29)19(9-16)31-20-10-15(11-24)3-6-25-20;1-14-7-17(22-25-4-2-5-26-22)21(27-11-14)23(30)28-12-16-8-18(28)19(9-16)31-20-10-15(13-29)3-6-24-20/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;2-7,10,12,16,18-19H,8-9,11,13H2,1H3;2-7,10-11,16,18-19,29H,8-9,12-13H2,1H3 |
| InChIKey | RIOCPDWEDZGOFF-UHFFFAOYSA-N |
| XLogP | 12.55 |
| TPSA | 344.63 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 124 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1675.85 |
| LogP ≤ 5 | 12.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |