| Drug Name |
US10030004, Compound 11a
|
| Synonyms |
SCHEMBL18205771; BDBM280344; US10030004, Compound 11a; Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
428.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.1 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C22H22ClFN4O2
- IUPAC Name
4-[[2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide - Canonical SMILES
-
CCC1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC[C@H](C)O)C3=C(C=CC(=C3)Cl)F
- InChI
-
InChI=1S/C22H22ClFN4O2/c1-3-14-11-26-21(16-8-15(23)4-5-18(16)24)9-20(14)28-19-6-7-25-12-17(19)22(30)27-10-13(2)29/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,30)(H,25,26,28)/t13-/m0/s1
- InChIKey
-
OGPVQKHTKOAKDQ-ZDUSSCGKSA-N
|
| Cross-matching ID |
- PubChem CID
- 91820701
- TTD ID
- D0Z9FM
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