C139H149F6N37O8 — CID 158278593
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 158278593) has the molecular formula C139H149F6N37O8 and a molecular weight of 2579.96 g/mol. Its IUPAC name is 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine.
| Compound Name | 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine |
|---|---|
| PubChem CID | 158278593 |
| Molecular Formula | C139H149F6N37O8 |
| Molecular Weight | 2579.96 g/mol |
| Exact Mass | 2578.23 |
| IUPAC Name | 3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine |
| SMILES | CN(C)C(=O)c1cccc(-c2cnc(N)c3nc(C4CCCNC4)cn23)c1.COc1ccc(CNC(=O)c2ccc(-c3cnc(N)c4nc(C5CCCNC5)cn34)cc2)cc1.COc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc(N)c4nc(C5CCCNC5)cn34)c2)cc1.Cn1cc(-c2c(C3CCNC3)nc3c(N)nccn23)cn1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)n2cc(C3CCCNC3)nc12.Nc1ncc(-c2cccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2)n2cc(C3CCCNC3)nc12 |
| InChI | InChI=1S/C27H30N6O2.C26H25F3N6O2.C26H25F3N6O.C26H28N6O2.C20H24N6O.C14H17N7/c1-17(18-8-10-22(35-2)11-9-18)31-27(34)20-6-3-5-19(13-20)24-15-30-25(28)26-32-23(16-33(24)26)21-7-4-12-29-14-21;27-26(28,29)37-20-8-6-16(7-9-20)12-33-25(36)18-4-1-3-17(11-18)22-14-32-23(30)24-34-21(15-35(22)24)19-5-2-10-31-13-19;27-26(28,29)20-8-6-16(7-9-20)12-33-25(36)18-4-1-3-17(11-18)22-14-32-23(30)24-34-21(15-35(22)24)19-5-2-10-31-13-19;1-34-21-10-4-17(5-11-21)13-30-26(33)19-8-6-18(7-9-19)23-15-29-24(27)25-31-22(16-32(23)25)20-3-2-12-28-14-20;1-25(2)20(27)14-6-3-5-13(9-14)17-11-23-18(21)19-24-16(12-26(17)19)15-7-4-8-22-10-15;1-20-8-10(7-18-20)12-11(9-2-3-16-6-9)19-14-13(15)17-4-5-21(12)14/h3,5-6,8-11,13,15-17,21,29H,4,7,12,14H2,1-2H3,(H2,28,30)(H,31,34);1,3-4,6-9,11,14-15,19,31H,2,5,10,12-13H2,(H2,30,32)(H,33,36);1,3-4,6-9,11,14-15,19,31H,2,5,10,12-13H2,(H2,30,32)(H,33,36);4-11,15-16,20,28H,2-3,12-14H2,1H3,(H2,27,29)(H,30,33);3,5-6,9,11-12,15,22H,4,7-8,10H2,1-2H3,(H2,21,23);4-5,7-9,16H,2-3,6H2,1H3,(H2,15,17)/t17-,21?;;;;;/m0...../s1 |
| InChIKey | GJXQNXVIHAKEES-MQSYMXASSA-N |
| XLogP | 18.93 |
| TPSA | 591.66 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2579.96 |
| LogP ≤ 5 | 18.93 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 40 |