C65H65F3N16O4 — CID 157450349
[2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 157450349) has the molecular formula C65H65F3N16O4 and a molecular weight of 1191.34 g/mol. Its IUPAC name is [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
| Compound Name | [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
|---|---|
| PubChem CID | 157450349 |
| Molecular Formula | C65H65F3N16O4 |
| Molecular Weight | 1191.34 g/mol |
| Exact Mass | 1190.53 |
| IUPAC Name | [2-[(5-methoxy-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-[(5-methyl-2-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone |
| SMILES | COc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.Cc1ccc(CC2CC3CCC2N3C(=O)c2ccccc2-n2nccn2)nc1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Cc1ccc(C(F)(F)F)nn1)C2 |
| InChI | InChI=1S/C22H23N5O2.C22H23N5O.C21H19F3N6O/c1-29-18-8-6-16(23-14-18)12-15-13-17-7-9-20(15)26(17)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;1-15-6-7-17(23-14-15)12-16-13-18-8-9-20(16)26(18)22(28)19-4-2-3-5-21(19)27-24-10-11-25-27;22-21(23,24)19-8-5-14(27-28-19)11-13-12-15-6-7-17(13)29(15)20(31)16-3-1-2-4-18(16)30-25-9-10-26-30/h2-6,8,10-11,14-15,17,20H,7,9,12-13H2,1H3;2-7,10-11,14,16,18,20H,8-9,12-13H2,1H3;1-5,8-10,13,15,17H,6-7,11-12H2 |
| InChIKey | BSSMRRFOOIRKMG-UHFFFAOYSA-N |
| XLogP | 9.43 |
| TPSA | 213.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 88 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1191.34 |
| LogP ≤ 5 | 9.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |