General Information of the Compound
| Compound ID |
CP0071651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N4
|
||||||||||||||||||
| Molecular Weight |
332.451
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZLOTZYSSWSJCR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound