Also known as: Azd7594, Azd-7594, 1196509-60-0, 3-(5-((1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((r)-tetrahydrofuran-3-yl)benzamide, 3-[5-[(1r,2s)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-n-[(3r)-oxolan-3-yl]benzamide, Az13189620

Molecular Formula

C₃₂H₃₂F₂N₄O₆

Molecular Weight

606.6 g/mol

InChI Key

ZZWJKLGCDHYVMB-BWGXUDETSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-N-[(3R)-oxolan-3-yl]benzamide

2.1.2 InChI

InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1

2.1.3 InChI Key

ZZWJKLGCDHYVMB-BWGXUDETSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)NC6CCOC6)NC(=O)C(C)(F)F

2.1.5 Isomeric SMILES

C[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=CC(=C5)C(=O)N[C@@H]6CCOC6)NC(=O)C(C)(F)F

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-(5-((1r,2s)-2-((2,2-difluoropropanoyl)amino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((3r)-tetrahydro-3-furanyl)benzamide

2. Azd7594

3. Benzamide, 3-(5-((1r,2s)-2-((2,2-difluoro-1-oxopropyl)amino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((3r)-tetrahydro-3-furanyl)-

2.2.2 Depositor-Supplied Synonyms

1. Azd7594

2. Azd-7594

3. 1196509-60-0

4. 3-(5-((1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1h-indazol-1-yl)-n-((r)-tetrahydrofuran-3-yl)benzamide

5. 3-[5-[(1r,2s)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]-n-[(3r)-oxolan-3-yl]benzamide

6. Az13189620

7. Azd 7594

8. Gtpl9325

9. Schembl1456757

10. Chembl3666807

11. Bdbm141372

12. Amy16844

13. Ex-a1939

14. Akos037648545

15. Compound 15m [pmid: 28937774]

16. Bs-14536

17. Hy-111453

18. Cs-0040937

19. Us8916600, 6

20. Az13189620az13189620

21. 3-{5-[(1r,2s)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-1h-indazol-1-yl}-n-[(3r)-oxolan-3-yl]benzamide

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₂F₂N₄O₆
Molecular Weight	606.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	606.22899108 g/mol
Monoisotopic Mass	606.22899108 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

AZD7594

AZD7594

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