| Drug Name |
US9682983, 1
|
| Synonyms |
SCHEMBL16112697; YTUZELSDHUVEFM-UHFFFAOYSA-N; BDBM111122; US9682983, 1; US9682983, 17; 4-(6-(6-(piperazin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
407.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.6 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C24H21N7
- IUPAC Name
4-[6-(6-piperazin-1-ylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline - Canonical SMILES
-
C1CN(CCN1)C2=NC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3
- InChI
-
InChI=1S/C24H21N7/c1-2-4-22-20(3-1)19(7-8-26-22)21-15-29-31-16-18(14-28-24(21)31)17-5-6-23(27-13-17)30-11-9-25-10-12-30/h1-8,13-16,25H,9-12H2
- InChIKey
-
YTUZELSDHUVEFM-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86275005
- TTD ID
- D01RXV
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