Cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
C103H107F17N32O11S3 — CID 157421507
Data last refreshed: (MolForge compound catalog, from PubChem)
About Cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide
Cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide (PubChem CID 157421507) has the molecular formula C103H107F17N32O11S3 and a molecular weight of 2388.37 g/mol. Its IUPAC name is cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide.
Molecular Properties
| Compound Name | Cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide |
|---|---|
| PubChem CID | 157421507 |
| Molecular Formula | C103H107F17N32O11S3 |
| Molecular Weight | 2388.37 g/mol |
| Exact Mass | 2386.77 |
| IUPAC Name | cyclopropyl-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(3,3-difluorocyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;N-[(1S)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2S)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide;N-[(1R)-1-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethyl]methanesulfonamide |
| SMILES | C[C@@H](NS(C)(=O)=O)[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.C[C@@H](NS(C)(=O)=O)[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1CC1.C[C@H](NS(C)(=O)=O)[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCO1.O=C(C1CC(F)(F)C1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1 |
| InChI | InChI=1S/C24H21F5N8O.C22H23F3N6O.3C19H21F3N6O3S/c25-23(26)7-14(8-23)22(38)36-6-5-35(13-18(36)15-9-32-33-10-15)20-3-4-30-21(34-20)17-11-31-19-2-1-16(12-37(17)19)24(27,28)29;1-13-10-29(11-14(2)31(13)21(32)15-3-4-15)19-7-8-26-20(28-19)17-9-27-18-6-5-16(12-30(17)18)22(23,24)25;3*1-12(26-32(2,29)30)15-11-27(7-8-31-15)17-5-6-23-18(25-17)14-9-24-16-4-3-13(10-28(14)16)19(20,21)22/h1-4,9-12,14,18H,5-8,13H2,(H,32,33);5-9,12-15H,3-4,10-11H2,1-2H3;3*3-6,9-10,12,15,26H,7-8,11H2,1-2H3/t;13-,14+;2*12-,15+;12-,15-/m..101/s1 |
| InChIKey | BPLQJVFGZTXTBF-SLTATEAMSA-N |
| XLogP | 13.47 |
| TPSA | 467.10 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 166 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2388.37 |
| LogP ≤ 5 | 13.47 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 37 |
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