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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

AMP945

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 Formula	C₂₈H₃₂F₃N₅O₂
Molecular Weight	527.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	93.4
Heavy Atom Count	38
Formal Charge	0
Complexity	749
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1