| Drug Name |
US8669361, 105
|
| Synonyms |
SCHEMBL2523114; CHEMBL3652622; QVHWRVHLJFUJKP-UHFFFAOYSA-N; BDBM119382; US8669361, 105; 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-(piperidin-4-ylmethylamino)-1H-pyrazol-4-yl)thiazole-4-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
447.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.1 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
4 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C20H23F2N7OS
- IUPAC Name
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(piperidin-4-ylmethylamino)pyrazol-4-yl]-1,3-thiazole-4-carboxamide - Canonical SMILES
-
CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)NCC4CCNCC4
- InChI
-
InChI=1S/C20H23F2N7OS/c1-29-18(25-9-11-5-7-24-8-6-11)14(10-26-29)27-19(30)16-17(23)31-20(28-16)15-12(21)3-2-4-13(15)22/h2-4,10-11,24-25H,5-9,23H2,1H3,(H,27,30)
- InChIKey
-
QVHWRVHLJFUJKP-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 53482278
- TTD ID
- D0DT0E
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