C35H38F6N8O2Si — CID 159427907
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane (PubChem CID 159427907) has the molecular formula C35H38F6N8O2Si and a molecular weight of 744.82 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane.
| Compound Name | 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane |
|---|---|
| PubChem CID | 159427907 |
| Molecular Formula | C35H38F6N8O2Si |
| Molecular Weight | 744.82 g/mol |
| Exact Mass | 744.28 |
| IUPAC Name | 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane |
| SMILES | C[Si](C)(C)C(F)(F)F.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OC(c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)C(F)(F)F |
| InChI | InChI=1S/C16H15F3N4O.C15H14N4O.C4H9F3Si/c17-16(18,19)15(24)12-5-20-23(7-12)9-13-8-22-6-11(10-1-2-10)3-4-14(22)21-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;1-8(2,3)4(5,6)7/h3-8,10,15,24H,1-2,9H2;3-8,10,12H,1-2,9H2;1-3H3 |
| InChIKey | LQPJVNAKWJLCKG-UHFFFAOYSA-N |
| XLogP | 7.75 |
| TPSA | 107.54 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 52 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 744.82 |
| LogP ≤ 5 | 7.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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