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8 Drugs in Development

8 Drugs in Development

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Chemistry

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Also known as: Naperiglipron (usan), Ly3549492, Ly-3549492, Naperiglipron [usan], 2572566-11-9, Bjn78tt46s

Molecular Formula

C₃₃H₂₆F₂N₄O₄

Molecular Weight

580.6 g/mol

InChI Key

QZQFEJHDNYVBKL-DEOSSOPVSA-N

FDA UNII

BJN78TT46S

1 2D Structure

Naperiglipron

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid

2.1.2 InChI

InChI=1S/C33H26F2N4O4/c1-19-11-23(14-31-37-29-8-7-21(33(40)41)13-30(29)39(31)17-24-9-10-42-24)27(35)15-25(19)28-3-2-4-32(38-28)43-18-22-6-5-20(16-36)12-26(22)34/h2-8,11-13,15,24H,9-10,14,17-18H2,1H3,(H,40,41)/t24-/m0/s1

2.1.3 InChI Key

QZQFEJHDNYVBKL-DEOSSOPVSA-N

2.2 Other Identifiers

2.2.1 UNII

BJN78TT46S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Naperiglipron (usan)

2. Ly3549492

3. Ly-3549492

4. Naperiglipron [usan]

5. 2572566-11-9

6. Bjn78tt46s

7. Chembl5944135

8. Schembl22830391

9. Schembl29562181

10. Gtpl14175

11. Yqf2518

12. Us11655242, Example 2

13. Bdbm603919

14. Example 2 [wo2020263695]

15. D13181

16. 1h-benzimidazole-6-carboxylic Acid, 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[(2s)-2-oxetanylmethyl]-

17. 2-[[4-[6-[(4-cyano-2-fluoro-phenyl)methoxy]-2-pyridyl]-2-fluoro-5-methyl-phenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

18. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[(2s)-2-oxetanylmethyl]-1h-benzimidazole-6-carboxylic Acid

19. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridyl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

20. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

2.4 Create Date

2021-01-30

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₂₆F₂N₄O₄
Molecular Weight	580.6 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	110
Heavy Atom Count	43
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1