C15H13ClN4O — CID 90538547
1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea (PubChem CID 90538547) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea.
| Compound Name | 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea |
|---|---|
| PubChem CID | 90538547 |
| Molecular Formula | C15H13ClN4O |
| Molecular Weight | 300.75 g/mol |
| Exact Mass | 300.08 |
| IUPAC Name | 1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea |
| SMILES | O=C(NCc1cnn2ccccc12)Nc1ccc(Cl)cc1 |
| InChI | InChI=1S/C15H13ClN4O/c16-12-4-6-13(7-5-12)19-15(21)17-9-11-10-18-20-8-2-1-3-14(11)20/h1-8,10H,9H2,(H2,17,19,21) |
| InChIKey | JNGDUSLXUQINKS-UHFFFAOYSA-N |
| XLogP | 3.31 |
| TPSA | 58.43 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 300.75 |
| LogP ≤ 5 | 3.31 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |