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Also known as: 2311863-36-0, 3gki6rvi0v, (4-(6-aminopyridazin-3-yl)piperidin-1-yl)(5-(4-fluorophenoxy)-4-methoxypyridin-2-yl)methanone, Methanone, (4-(6-amino-3-pyridazinyl)-1-piperidinyl)(5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl)-, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone, Methanone, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-

Molecular Formula

C₂₂H₂₂FN₅O₃

Molecular Weight

423.4 g/mol

InChI Key

JUALOUHZJJERQT-UHFFFAOYSA-N

FDA UNII

3GKI6RVI0V

1 2D Structure

BI 764198

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone

2.1.2 InChI

InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)

2.1.3 InChI Key

JUALOUHZJJERQT-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

3GKI6RVI0V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2311863-36-0

2. 3gki6rvi0v

3. (4-(6-aminopyridazin-3-yl)piperidin-1-yl)(5-(4-fluorophenoxy)-4-methoxypyridin-2-yl)methanone

4. Methanone, (4-(6-amino-3-pyridazinyl)-1-piperidinyl)(5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl)-

5. [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone

6. Methanone, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-

7. Refchem:196495

8. Bi 764198

9. Trpc6-in-3

10. Unii-3gki6rvi0v

11. Apecotrep

12. Apecotrep [inn]

13. Orb1687769

14. Schembl21045769

15. Schembl30386116

16. Bdbm466601

17. Us10800757, Compound 17

18. Da-78662

19. Ms-27435

20. Hy-148129

21. Cs-0613218

22. [4-(6-amino-pyridazin-3-yl)- Piperidin-1-yl]-[5-(4-fluoro-phenoxy)- 4-methoxy-pyridin-2-yl]-methanone

23. [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxypyridin-2-yl]methanone

2.4 Create Date

2019-07-20

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₂FN₅O₃
Molecular Weight	423.4 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	103
Heavy Atom Count	31
Formal Charge	0
Complexity	583
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