(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
C139H133Cl2F12N47O8 — CID 159328444
Data last refreshed: (MolForge compound catalog, from PubChem)
About (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile
(2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 159328444) has the molecular formula C139H133Cl2F12N47O8 and a molecular weight of 2888.80 g/mol. Its IUPAC name is (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile.
Molecular Properties
| Compound Name | (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile |
|---|---|
| PubChem CID | 159328444 |
| Molecular Formula | C139H133Cl2F12N47O8 |
| Molecular Weight | 2888.80 g/mol |
| Exact Mass | 2886.06 |
| IUPAC Name | (2R,3R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(3S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropyl-3-methylpiperazine-2-carboxamide;(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(5-methyl-1,2-oxazol-4-yl)-[(2S)-2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[2-[(3S)-4-[[(3S)-oxan-3-yl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]cyclopropane-1-carbonitrile |
| SMILES | C[C@@H]1[C@H](C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.C[C@H]1C(C(N)=O)N(C2CC2)CCN1c1ccnc(-c2cnc3ccc(Cl)cn23)n1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C1=CCN=C1.Cc1oncc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H]1C1=CCN=C1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCN(C[C@@H]5CCCOC5)[C@@H](c5cn[nH]c5)C4)n3)n2c1.N#CC1(C(=O)N2CCN(c3nccc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)CC1 |
| InChI | InChI=1S/2C25H21F3N8O2.C25H27F3N8O.C24H20F3N9O.2C20H22ClN7O/c2*1-15-18(11-32-38-15)24(37)35-9-8-34(14-20(35)16-4-6-29-10-16)22-5-7-30-23(33-22)19-12-31-21-3-2-17(13-36(19)21)25(26,27)28;26-25(27,28)19-3-4-23-30-12-21(36(23)14-19)20-5-6-29-24(33-20)35-8-7-34(13-17-2-1-9-37-16-17)22(15-35)18-10-31-32-11-18;25-24(26,27)16-1-2-20-30-11-18(36(20)12-16)17-3-6-29-22(33-17)34-7-8-35(21(37)23(14-28)4-5-23)19(13-34)15-9-31-32-10-15;2*1-12-18(19(22)29)27(14-3-4-14)9-8-26(12)17-6-7-23-20(25-17)15-10-24-16-5-2-13(21)11-28(15)16/h2*2-5,7,10-13,20H,6,8-9,14H2,1H3;3-6,10-12,14,17,22H,1-2,7-9,13,15-16H2,(H,31,32);1-3,6,9-12,19H,4-5,7-8,13H2,(H,31,32);2*2,5-7,10-12,14,18H,3-4,8-9H2,1H3,(H2,22,29)/t2*20-;17-,22+;;12-,18?;12-,18-/m100.01/s1 |
| InChIKey | LERBBKSUMSWHBE-BIGAZALYSA-N |
| XLogP | 17.89 |
| TPSA | 601.91 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 208 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2888.80 |
| LogP ≤ 5 | 17.89 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 48 |
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