1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide

2.1.2 InChI

InChI=1S/C25H24F3N5O5/c1-4-9-33-13-21(37-14-25(26,27)28)23(32-33)24(34)31-22-6-5-15(12-30-22)38-18-7-8-29-17-11-20(36-3)19(35-2)10-16(17)18/h5-8,10-13H,4,9,14H2,1-3H3,(H,30,31,34)

2.1.3 InChI Key

BWUUJXXFCSYLFW-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

JIJ7I9XO8B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2394874-66-7

2. N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide

3. N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-propyl-4-(2,2,2-trifluoroethoxy)-1h-pyrazole-3-carboxamide

4. Adrixetinib [inn]

5. Jij7i9xo8b

6. Chembl5314452

7. Schembl23456979

8. Gtpl12375

9. Glxc-26812

10. Ex-a8325

11. Example 7 [us2021163448a1]

12. Da-70611

13. Hy-152830

14. Cs-0641058

15. 1h-pyrazole-3-carboxamide, N-[5-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-pyridinyl]-1-propyl-4-(2,2,2-trifluoroethoxy)-

16. N-[5-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-pyridinyl]-1-propyl-4-(2,2,2-trifluoroethoxy)-1h-pyrazole-3-carboxamide

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₄F₃N₅O₅
Molecular Weight	531.5 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	110
Heavy Atom Count	38
Formal Charge	0
Complexity	765
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

Adrixetinib

Adrixetinib

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