C118H148Br2ClN29O4 — CID 158206046
6-bromo-3-propan-2-ylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;2-chloro-3-methylbutanal;diphenylmethanimine;1,1-diphenyl-N-(3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)methanimine;ethanol;bis(9-ethyl-8-(2-methylpyrimidin-5-yl)-N-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)purin-6-amine);methanol;3-methylbutanal;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 158206046) has the molecular formula C118H148Br2ClN29O4 and a molecular weight of 2231.94 g/mol. Its IUPAC name is 6-bromo-3-propan-2-ylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;2-chloro-3-methylbutanal;diphenylmethanimine;1,1-diphenyl-N-(3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)methanimine;ethanol;bis(9-ethyl-8-(2-methylpyrimidin-5-yl)-N-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)purin-6-amine);methanol;3-methylbutanal;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
| Compound Name | 6-bromo-3-propan-2-ylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;2-chloro-3-methylbutanal;diphenylmethanimine;1,1-diphenyl-N-(3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)methanimine;ethanol;bis(9-ethyl-8-(2-methylpyrimidin-5-yl)-N-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)purin-6-amine);methanol;3-methylbutanal;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine |
|---|---|
| PubChem CID | 158206046 |
| Molecular Formula | C118H148Br2ClN29O4 |
| Molecular Weight | 2231.94 g/mol |
| Exact Mass | 2228.03 |
| IUPAC Name | 6-bromo-3-propan-2-ylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;2-chloro-3-methylbutanal;diphenylmethanimine;1,1-diphenyl-N-(3-propan-2-ylimidazo[1,2-a]pyridin-6-yl)methanimine;ethanol;bis(9-ethyl-8-(2-methylpyrimidin-5-yl)-N-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)purin-6-amine);methanol;3-methylbutanal;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine |
| SMILES | CC(C)C(Cl)C=O.CC(C)CC=O.CC(C)c1cnc2ccc(Br)cn12.CC(C)c1cnc2ccc(N=C(c3ccccc3)c3ccccc3)cn12.CC(C)c1cnc2n1CC(N)CC2.CCO.CCn1c(-c2cnc(C)nc2)nc2c(NC3CCc4ncc(C(C)C)n4C3)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(NC3CCc4ncc(C(C)C)n4C3)ncnc21.CO.Nc1ccc(Br)cn1.[H]N=C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H21N3.2C22H27N9.C13H11N.C10H11BrN2.C10H17N3.C5H5BrN2.C5H9ClO.C5H10O.C2H6O.CH4O/c1-17(2)21-15-24-22-14-13-20(16-26(21)22)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19;2*1-5-30-21(15-8-23-14(4)24-9-15)29-19-20(26-12-27-22(19)30)28-16-6-7-18-25-10-17(13(2)3)31(18)11-16;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-7(2)9-5-12-10-4-3-8(11)6-13(9)10;6-4-1-2-5(7)8-3-4;1-4(2)5(6)3-7;1-5(2)3-4-6;1-2-3;1-2/h3-17H,1-2H3;2*8-10,12-13,16H,5-7,11H2,1-4H3,(H,26,27,28);1-10,14H;3-7H,1-2H3;5,7-8H,3-4,6,11H2,1-2H3;1-3H,(H2,7,8);3-5H,1-2H3;4-5H,3H2,1-2H3;3H,2H2,1H3;2H,1H3 |
| InChIKey | GBMVHQZNTICSFK-UHFFFAOYSA-N |
| XLogP | 23.66 |
| TPSA | 426.62 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2231.94 |
| LogP ≤ 5 | 23.66 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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