C146H148ClF3N28O11S7 — CID 158954761
[3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-ethoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis((3-fluoro-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-methoxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-methoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 158954761) has the molecular formula C146H148ClF3N28O11S7 and a molecular weight of 2787.89 g/mol. Its IUPAC name is [3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-ethoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis((3-fluoro-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-methoxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-methoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
| Compound Name | [3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-ethoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis((3-fluoro-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-methoxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-methoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone |
|---|---|
| PubChem CID | 158954761 |
| Molecular Formula | C146H148ClF3N28O11S7 |
| Molecular Weight | 2787.89 g/mol |
| Exact Mass | 2784.96 |
| IUPAC Name | [3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-ethoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis((3-fluoro-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-methoxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-methoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone |
| SMILES | CCOC1(c2ccccn2)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.COC1(c2ccccn2)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.COC1(c2ncccc2C)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(F)(c1ccccn1)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(F)(c1ccccn1)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(F)(c1ncccc1Cl)C2 |
| InChI | InChI=1S/2C22H24N4O2S.2C21H22N4O2S.C20H18ClFN4OS.2C20H19FN4OS/c1-14-4-3-7-23-20(14)22(28-2)9-17-5-6-18(10-22)26(17)21(27)15-8-19(29-13-15)16-11-24-25-12-16;1-2-28-22(20-5-3-4-8-23-20)10-17-6-7-18(11-22)26(17)21(27)15-9-19(29-14-15)16-12-24-25-13-16;1-13-3-2-6-22-19(13)21(27)8-16-4-5-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-23-24-11-15;1-27-21(19-4-2-3-7-22-19)9-16-5-6-17(10-21)25(16)20(26)14-8-18(28-13-14)15-11-23-24-12-15;21-16-2-1-5-23-18(16)20(22)7-14-3-4-15(8-20)26(14)19(27)12-6-17(28-11-12)13-9-24-25-10-13;2*21-20(18-3-1-2-6-22-18)8-15-4-5-16(9-20)25(15)19(26)13-7-17(27-12-13)14-10-23-24-11-14/h3-4,7-8,11-13,17-18H,5-6,9-10H2,1-2H3,(H,24,25);3-5,8-9,12-14,17-18H,2,6-7,10-11H2,1H3,(H,24,25);2-3,6-7,10-12,16-17,27H,4-5,8-9H2,1H3,(H,23,24);2-4,7-8,11-13,16-17H,5-6,9-10H2,1H3,(H,23,24);1-2,5-6,9-11,14-15H,3-4,7-8H2,(H,24,25);2*1-3,6-7,10-12,15-16H,4-5,8-9H2,(H,23,24) |
| InChIKey | JLWIBSJUACQMDB-UHFFFAOYSA-N |
| XLogP | 28.87 |
| TPSA | 481.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2787.89 |
| LogP ≤ 5 | 28.87 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |