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Also known as: Zn-a-1041, 2414056-31-6, 5-[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine, Perzebertinib [inn], Orb2565014, Un8tm5120c

Molecular Formula

C₂₇H₂₆F₂N₈O₃

Molecular Weight

548.5 g/mol

InChI Key

PTKRHBXNNDLRPO-OAQYLSRUSA-N

FDA UNII

UN8TM5120C

1 2D Structure

Perzebertinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

2.1.2 InChI

InChI=1S/C27H26F2N8O3/c1-16-10-17(4-6-19(16)39-23-11-22-31-14-34-37(22)15-33-23)35-26-24-18(30-13-32-26)5-7-20(38-3)25(24)40-21-8-9-36(2)12-27(21,28)29/h4-7,10-11,13-15,21H,8-9,12H2,1-3H3,(H,30,32,35)/t21-/m1/s1

2.1.3 InChI Key

PTKRHBXNNDLRPO-OAQYLSRUSA-N

2.2 Other Identifiers

2.2.1 UNII

UN8TM5120C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Zn-a-1041

2. 2414056-31-6

3. 5-[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine

4. Perzebertinib [inn]

5. Orb2565014

6. Un8tm5120c

7. Schembl21807999

8. Gtpl13741

9. Ptkrhbxnndlrpo-oaqylsrusa-n

10. Bdbm612264

11. Bdbm612287

12. Us11723908, Example 37

13. Us11723908, Example 77

14. Zna-1041

15. Ex-a11170

16. Zn-1041

17. Example 31 [wo2020057511a1]

18. Hy-163428

19. Cs-1016770

20. (r)—n-(4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)-3-methylphenyl)-5-((3,3-difluoro-1-(methyl-d3)piperidin-4-yl)oxy)-6-(methoxy-d3)quinazolin-4-amine

21. (s)-n-(4-([1,2,4]-triazolo[1,5-c]pyrimidin-7-yloxy)-3-methylphenyl)-5-((3,3-difluoro-1-methylpiperidin-4-yl)oxy)-6-(methoxy-d3)quinazolin-4-amine

22. 4-quinazolinamine, 5-[[(4r)-3,3-difluoro-1-methyl-4-piperidinyl]oxy]-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-

23. 5-[[(4r)-3,3-difluoro-1-methyl-4-piperidinyl]oxy]-6-methoxy-n-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]-4-quinazolinamine

24. 5-{[(4r)-3,3-difluoro-1-methylpiperidin-4-yl]oxy}-6-methoxy-n-{3-methyl-4-[([1,2,4]triazolo[1,5-c]pyrimidin-7-yl)oxy]phenyl}quinazolin-4-amine

2.4 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₆F₂N₈O₃
Molecular Weight	548.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	112
Heavy Atom Count	40
Formal Charge	0
Complexity	848
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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