Drug Name |
US10034861, Example 164
|
Synonyms |
SCHEMBL19762485; BDBM279133; US10034861, Example 164; 5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-7-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrazolo[4,3-b]pyridine |
Drug Type |
Small molecular drug
|
Structure |
|
|
3D MOL
|
2D MOL
|
#Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
456.6 |
|
Logarithm of the Partition Coefficient (xlogp) |
4.6 |
Rotatable Bond Count (rotbonds) |
11 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
7 |
Chemical Identifiers |
- Formula
- C24H32N4O3S
- IUPAC Name
2-methylpropyl 3-[5-(2-ethoxypyridin-3-yl)-3-methyl-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-yl]sulfanylpropanoate
- Canonical SMILES
-
CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)SCCC(=O)OCC(C)C)N(N=C3C)C(C)C
- InChI
-
InChI=1S/C24H32N4O3S/c1-7-30-24-18(9-8-11-25-24)19-13-20(32-12-10-21(29)31-14-15(2)3)23-22(26-19)17(6)27-28(23)16(4)5/h8-9,11,13,15-16H,7,10,12,14H2,1-6H3
- InChIKey
-
HVDCJFCTBUPVCE-UHFFFAOYSA-N
|
Cross-matching ID |
- PubChem CID
- 132273278
- TTD ID
- D06WJK
|
|
|
|
|
|
|
|