Tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
C117H120Cl6F6N40O8S — CID 157419492
Data last refreshed: (MolForge compound catalog, from PubChem)
About Tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
Tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (PubChem CID 157419492) has the molecular formula C117H120Cl6F6N40O8S and a molecular weight of 2573.29 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.
Molecular Properties
| Compound Name | Tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide |
|---|---|
| PubChem CID | 157419492 |
| Molecular Formula | C117H120Cl6F6N40O8S |
| Molecular Weight | 2573.29 g/mol |
| Exact Mass | 2568.80 |
| IUPAC Name | tert-butyl N-[(3S,4R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-4-hydroxypiperidin-3-yl]carbamate;(2R,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3S,5R)-1-[4-(6,7-dichloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide |
| SMILES | CC(C)(C)OC(=O)N[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CC[C@H]1O.C[C@@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1C[C@H](N=S(C)(C)=O)CN(c2nccc(-c3cnc4cc(Cl)c(Cl)cn34)n2)C1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@@H](c2cn[nH]c2)O1.C[C@H]1CN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.NC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1CCC(F)(F)F |
| InChI | InChI=1S/C21H25ClN6O3.C20H19F6N7O.C19H22Cl2N6OS.3C19H18ClN7O/c1-21(2,3)31-20(30)25-14-12-27(9-7-16(14)29)18-6-8-23-19(26-18)15-10-24-17-5-4-13(22)11-28(15)17;21-19(22,23)4-6-31-7-8-32(11-14(31)17(27)34)16-3-5-28-18(30-16)13-9-29-15-2-1-12(10-33(13)15)20(24,25)26;1-12-6-13(25-29(2,3)28)10-26(9-12)19-22-5-4-16(24-19)17-8-23-18-7-14(20)15(21)11-27(17)18;3*1-12-9-26(11-17(28-12)13-6-23-24-7-13)19-21-5-4-15(25-19)16-8-22-18-3-2-14(20)10-27(16)18/h4-6,8,10-11,14,16,29H,7,9,12H2,1-3H3,(H,25,30);1-3,5,9-10,14H,4,6-8,11H2,(H2,27,34);4-5,7-8,11-13H,6,9-10H2,1-3H3;3*2-8,10,12,17H,9,11H2,1H3,(H,23,24)/t14-,16+;;12-,13+;12-,17+;2*12-,17-/m0.1010/s1 |
| InChIKey | BPFVEUNQMHBUHI-INZJTLPESA-N |
| XLogP | 19.09 |
| TPSA | 525.97 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2573.29 |
| LogP ≤ 5 | 19.09 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 43 |
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Sources
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