763111-47-3

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1 End Use APIs
28 Related Intermediates

Chemistry

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Also known as: 763111-47-3, 4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2h-phthalazin-1-one, N-descyclopropanecarbaldehyde olaparib, Mfcd18251631, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2h)-phthalazinone, 4-[4-fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2h)-one

Molecular Formula

C₂₀H₁₉FN₄O₂

Molecular Weight

366.4 g/mol

InChI Key

MFFUYEOGICAKCK-UHFFFAOYSA-N

FDA UNII

292S583DJH

1 2D Structure

763111-47-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one

2.1.2 InChI

InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)

2.1.3 InChI Key

MFFUYEOGICAKCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

2.2 Other Identifiers

2.2.1 UNII

292S583DJH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 763111-47-3

2. 4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2h-phthalazin-1-one

3. N-descyclopropanecarbaldehyde Olaparib

4. Mfcd18251631

5. 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2h)-phthalazinone

6. 4-[4-fluoro-3-(piperazine-1-carbonyl)benzyl]phthalazin-1(2h)-one

7. C20h19fn4o2

8. 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine; 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2h)-one;

9. Schembl524782

10. Chembl493045

11. Bdbm27543

12. Mffuyeogicakck-uhfffaoysa-n

13. 292s583djh

14. Amy41131

15. Bcp12312

16. Cs-m0384

17. 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine

18. Akos025287453

19. As-10203

20. Hy-75706

21. Sy047561

22. Db-122992

23. En300-7423296

24. Z3034661463

25. 4-[4-fluoro-3-(piperazine-1-carbonyl)-benzyl]-2h-phthalazin-1-one

26. 1(2h)-phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-

27. 1(7h)-phthalazinone, 4-[[4-fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-

28. 4-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one

29. 4-{[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl}-1,2-dihydrophthalazin-1-one

30. Piperazine, 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₉FN₄O₂
Molecular Weight	366.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	73.8
Heavy Atom Count	27
Formal Charge	0
Complexity	605
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