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2D Structure
Also known as: Amp-945, Narmafotinib, 1393653-34-3, 16t7u12j7u, Amp945, 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)benzeneacetamide
Molecular Formula
C28H32F3N5O2
Molecular Weight
527.6  g/mol
InChI Key
AWJVIOYPZZZYAX-UHFFFAOYSA-N
FDA UNII
16T7U12J7U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
2.1.2 InChI
InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
2.1.3 InChI Key
AWJVIOYPZZZYAX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)CCC4=CC=CC=C4CC(=O)N)C(F)(F)F)OC
2.2 Other Identifiers
2.2.1 UNII
16T7U12J7U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Amp-945

2. Narmafotinib

3. 1393653-34-3

4. 16t7u12j7u

5. Amp945

6. 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)benzeneacetamide

7. Benzeneacetamide, 2-(2-(2-((2-methoxy-4-(1-methyl-4-piperidinyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)ethyl)-

8. Muzastotug

9. Muzastotug [inn]

10. Chembl3689071

11. Schembl12479576

12. Gtpl12373

13. Bdbm176589

14. Glxc-25724

15. Ex-a5816

16. Example 3 [us9120761b2]

17. Ctx-0294945

18. Ms-29765

19. Hy-145652

20. Cs-0377547

21. Us9120761, 3

22. 2-(2-(2-(2-((2-methoxy-4-(1-methylpiperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)acetamide

23. 2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2.4 Create Date
2012-09-19
3 Chemical and Physical Properties
Molecular Weight 527.6 g/mol
Molecular Formula C28H32F3N5O2
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area93.4
Heavy Atom Count38
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1