C56H67BCl2IK2N15O7 — CID 159237377
dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate (PubChem CID 159237377) has the molecular formula C56H67BCl2IK2N15O7 and a molecular weight of 1349.07 g/mol. Its IUPAC name is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate.
| Compound Name | dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate |
|---|---|
| PubChem CID | 159237377 |
| Molecular Formula | C56H67BCl2IK2N15O7 |
| Molecular Weight | 1349.07 g/mol |
| Exact Mass | 1347.31 |
| IUPAC Name | dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate |
| SMILES | CC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4nc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2ncc3c(B4OC(C)(C)C(C)(C)O4)ccnc3n2)cn1.O=CO[O-].[H-].[K+].[K+] |
| InChI | InChI=1S/C24H25N7O.C17H20BN5O2.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-21(32)30-9-10-31-20(14-30)22(28-24(31)15-7-8-15)17-5-4-6-19-18(17)12-25-23(27-19)16-11-26-29(2)13-16;1-16(2)17(3,4)25-18(24-16)13-6-7-19-15-12(13)9-20-14(22-15)11-8-21-23(5)10-11;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;1-2(3)4;2-1-4-3;;;/h4-6,11-13,15H,3,7-10,14H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1 |
| InChIKey | YIIVEGBLPZUWAD-UHFFFAOYSA-M |
| XLogP | 1.73 |
| TPSA | 244.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 84 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1349.07 |
| LogP ≤ 5 | 1.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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