C18H15ClN4O2 — CID 109066897
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066897) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
| Compound Name | 3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide |
|---|---|
| PubChem CID | 109066897 |
| Molecular Formula | C18H15ClN4O2 |
| Molecular Weight | 354.80 g/mol |
| Exact Mass | 354.09 |
| IUPAC Name | 3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide |
| SMILES | C=CCNC(=O)c1nc(C(=O)Nc2ccccc2Cl)n2ccccc12 |
| InChI | InChI=1S/C18H15ClN4O2/c1-2-10-20-17(24)15-14-9-5-6-11-23(14)16(22-15)18(25)21-13-8-4-3-7-12(13)19/h2-9,11H,1,10H2,(H,20,24)(H,21,25) |
| InChIKey | QLGVOJVPWPODRT-UHFFFAOYSA-N |
| XLogP | 3.16 |
| TPSA | 75.50 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 25 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 354.80 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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