C129H140Br7Cl3N40O5 — CID 158619811
1-[3-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyrrolidin-2-one;3-bromo-6-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexan-1-ol;[2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexyl]methanol;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidin-2-yl]ethanol (PubChem CID 158619811) has the molecular formula C129H140Br7Cl3N40O5 and a molecular weight of 2996.50 g/mol. Its IUPAC name is 1-[3-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyrrolidin-2-one;3-bromo-6-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexan-1-ol;[2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexyl]methanol;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidin-2-yl]ethanol.
| Compound Name | 1-[3-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyrrolidin-2-one;3-bromo-6-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexan-1-ol;[2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexyl]methanol;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidin-2-yl]ethanol |
|---|---|
| PubChem CID | 158619811 |
| Molecular Formula | C129H140Br7Cl3N40O5 |
| Molecular Weight | 2996.50 g/mol |
| Exact Mass | 2986.53 |
| IUPAC Name | 1-[3-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyrrolidin-2-one;3-bromo-6-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)imidazo[1,2-a]pyrazin-8-amine;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexan-1-ol;[2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]cyclohexyl]methanol;2-[[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]amino]-3-methylbutan-1-ol;2-[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidin-2-yl]ethanol |
| SMILES | CC(C)C(CO)Nc1cn2c(Br)cnc2c(NCc2cccnc2)n1.Clc1ccccc1-c1cn2c(Br)cnc2c(NCCCn2cccc2)n1.Clc1ccccc1-c1cn2c(Br)cnc2c(NCCCn2ccnc2)n1.O=C1CCCN1CCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12.OC1CCCCC1Nc1cn2c(Br)cnc2c(NCc2cccnc2)n1.OCC1CCCCC1Nc1cn2c(Br)cnc2c(NCc2cccnc2)n1.OCCC1CCCCN1c1cn2c(Br)cnc2c(NCc2cccnc2)n1 |
| InChI | InChI=1S/C19H19BrClN5O.C19H17BrClN5.2C19H23BrN6O.C18H16BrClN6.C18H21BrN6O.C17H21BrN6O/c20-16-11-23-19-18(22-8-4-10-25-9-3-7-17(25)27)24-15(12-26(16)19)13-5-1-2-6-14(13)21;20-17-12-23-19-18(22-8-5-11-25-9-3-4-10-25)24-16(13-26(17)19)14-6-1-2-7-15(14)21;20-16-12-23-19-18(22-11-14-4-3-7-21-10-14)24-17(13-26(16)19)25-8-2-1-5-15(25)6-9-27;20-16-10-23-19-18(22-9-13-4-3-7-21-8-13)25-17(11-26(16)19)24-15-6-2-1-5-14(15)12-27;19-16-10-23-18-17(22-6-3-8-25-9-7-21-12-25)24-15(11-26(16)18)13-4-1-2-5-14(13)20;19-15-10-22-18-17(21-9-12-4-3-7-20-8-12)24-16(11-25(15)18)23-13-5-1-2-6-14(13)26;1-11(2)13(10-25)22-15-9-24-14(18)8-21-17(24)16(23-15)20-7-12-4-3-5-19-6-12/h1-2,5-6,11-12H,3-4,7-10H2,(H,22,24);1-4,6-7,9-10,12-13H,5,8,11H2,(H,22,24);3-4,7,10,12-13,15,27H,1-2,5-6,8-9,11H2,(H,22,24);3-4,7-8,10-11,14-15,24,27H,1-2,5-6,9,12H2,(H,22,25);1-2,4-5,7,9-12H,3,6,8H2,(H,22,24);3-4,7-8,10-11,13-14,23,26H,1-2,5-6,9H2,(H,21,24);3-6,8-9,11,13,22,25H,7,10H2,1-2H3,(H,20,23) |
| InChIKey | HXVXHESRSGMSJT-UHFFFAOYSA-N |
| XLogP | 26.71 |
| TPSA | 510.41 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2996.50 |
| LogP ≤ 5 | 26.71 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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