| Drug Name |
Bidentate pyrazolopyrimidine acetamide analog 4
|
| Synonyms |
PMID27607364-Compound-145 |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 3 |
Molecular Weight (mw) |
744.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.9 |
| Rotatable Bond Count (rotbonds) |
16 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C43H52N8O4
- IUPAC Name
2-[2-[4-[3-[4-[3-[2-(diethylamino)-2-oxoethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]propoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide - Canonical SMILES
-
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCCOC4=CC=C(C=C4)C5=NN6C(=CC(=NC6=C5CC(=O)N(CC)CC)C)C)C)C
- InChI
-
InChI=1S/C43H52N8O4/c1-9-48(10-2)38(52)26-36-40(46-50-30(7)24-28(5)44-42(36)50)32-14-18-34(19-15-32)54-22-13-23-55-35-20-16-33(17-21-35)41-37(27-39(53)49(11-3)12-4)43-45-29(6)25-31(8)51(43)47-41/h14-21,24-25H,9-13,22-23,26-27H2,1-8H3
- InChIKey
-
NTCLVQPBPKMEFJ-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 58299418
- TTD ID
- D0X8TY
|
|
|
|
|
|
|
|
