| Drug Name |
US9434725, 113
|
| Synonyms |
SCHEMBL15401435; CHEMBL3890745; AWEQRQAMCRCOJY-INIZCTEOSA-N; BDBM248882; US9434725, 113; (S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
427.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.9 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C24H25N7O
- IUPAC Name
1-[6-[(3S)-3-methylpiperazin-1-yl]pyridin-2-yl]-6-[5-(oxetan-3-yl)pyridin-3-yl]pyrazolo[4,3-c]pyridine - Canonical SMILES
-
C[C@H]1CN(CCN1)C2=CC=CC(=N2)N3C4=CC(=NC=C4C=N3)C5=CC(=CN=C5)C6COC6
- InChI
-
InChI=1S/C24H25N7O/c1-16-13-30(6-5-26-16)23-3-2-4-24(29-23)31-22-8-21(27-11-19(22)12-28-31)18-7-17(9-25-10-18)20-14-32-15-20/h2-4,7-12,16,20,26H,5-6,13-15H2,1H3/t16-/m0/s1
- InChIKey
-
AWEQRQAMCRCOJY-INIZCTEOSA-N
|
| Cross-matching ID |
- PubChem CID
- 72715135
- TTD ID
- D0ZY3D
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