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Also known as: 2731294-23-6, 54py2pbn7s, 1-(4-(4-amino-7-cyclopropylpyrrolo(2,3-d)pyrimidin-5-yl)-2-fluorophenyl)-3-(5-(1-(trifluoromethyl)cyclopropyl)-1,2-oxazol-3-yl)urea, 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea, Refchem:1093845, Ofirnoflastum

Molecular Formula

C₂₃H₁₉F₄N₇O₂

Molecular Weight

501.4 g/mol

InChI Key

MJUUWYZZPRAKCW-UHFFFAOYSA-N

FDA UNII

54PY2PBN7S

1 2D Structure

Ofirnoflast

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

2.1.2 InChI

InChI=1S/C23H19F4N7O2/c24-14-7-11(13-9-34(12-2-3-12)20-18(13)19(28)29-10-30-20)1-4-15(14)31-21(35)32-17-8-16(36-33-17)22(5-6-22)23(25,26)27/h1,4,7-10,12H,2-3,5-6H2,(H2,28,29,30)(H2,31,32,33,35)

2.1.3 InChI Key

MJUUWYZZPRAKCW-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

54PY2PBN7S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2731294-23-6

2. 54py2pbn7s

3. 1-(4-(4-amino-7-cyclopropylpyrrolo(2,3-d)pyrimidin-5-yl)-2-fluorophenyl)-3-(5-(1-(trifluoromethyl)cyclopropyl)-1,2-oxazol-3-yl)urea

4. 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

5. Refchem:1093845

6. Ofirnoflastum

7. Ofirnoflast [inn]

8. Ofirnolast [usan]

9. Ofirnoflast (usan/inn)

10. Orb2802265

11. Schembl23966707

12. Schembl29484521

13. Gtpl13227

14. Bdbm522987

15. Us11161852, Compound 10

16. Ex-a10121

17. Ht-6184

18. Example 10 [wo2021242505]

19. Hy-159520

20. D13076

21. 1-(4-(4-amino-7- Cyclopropyl-7h- Pyrrolo[2,3- D]pyrimidin-5-yl)-2- Fluorophenyl)-3-(5-(1- (trifluoromethyl)cyclopropyl)isoxazol- 3-yl)urea

22. N-[4-(4-amino-7-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-n'-[5-[1-(trifluoromethyl)cyclopropyl]-3-isoxazolyl]urea

23. N-[4-(4-amino-7-cyclopropyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-n'-{5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl}urea

24. Urea, N-(4-(4-amino-7-cyclopropyl-7h-pyrrolo(2,3-d)pyrimidin-5-yl)-2-fluorophenyl)-n'-(5-(1-(trifluoromethyl)cyclopropyl)-3-isoxazolyl)-

2.4 Create Date

2021-12-13

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₉F₄N₇O₂
Molecular Weight	501.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	124
Heavy Atom Count	36
Formal Charge	0
Complexity	842
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

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