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Chemistry

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Also known as: 2886728-09-0, Dd202-114, Chembl5590455, (s)-2-((4-(6-((2-fluoro-4-(oxetan-3-yl)benzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1h-benzo[d]imidazole-6-carboxylic acid, Conveglipron [inn], G2vf4kq6gs
Molecular Formula
C33H35FN4O5
Molecular Weight
586.7  g/mol
InChI Key
SFKAXUUDIGSMBK-SANMLTNESA-N
FDA UNII
G2VF4KQ6GS

Conveglipron
1 2D Structure

Conveglipron

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[4-[6-[[2-fluoro-4-(oxetan-3-yl)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
2.1.2 InChI
InChI=1S/C33H35FN4O5/c34-27-14-22(25-18-41-19-25)4-5-24(27)20-43-32-3-1-2-28(36-32)21-8-11-37(12-9-21)17-31-35-29-7-6-23(33(39)40)15-30(29)38(31)16-26-10-13-42-26/h1-7,14-15,21,25-26H,8-13,16-20H2,(H,39,40)/t26-/m0/s1
2.1.3 InChI Key
SFKAXUUDIGSMBK-SANMLTNESA-N
2.2 Other Identifiers
2.2.1 UNII
G2VF4KQ6GS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2886728-09-0

2. Dd202-114

3. Chembl5590455

4. (s)-2-((4-(6-((2-fluoro-4-(oxetan-3-yl)benzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1h-benzo[d]imidazole-6-carboxylic Acid

5. Conveglipron [inn]

6. G2vf4kq6gs

7. Orb2665239

8. Schembl24818053

9. Schembl30151550

10. Gtpl14358

11. Ex-a10041

12. Compound 14 [pmid: 39140772]

13. (s)-2-[[4-[6-[[2-fluoro-4-(oxetan-3-yl)benzyl]oxy]-2-pyridyl]-1-piperidyl]methyl]-1-(oxetan-2-ylmethyl)-1h-benzo[d]imidazole-6-carboxylic Acid

14. Sy467789

15. Hy-163996

16. T200392

17. 1h-benzimidazole-6-carboxylic Acid, 2-[[4-[6-[[2-fluoro-4-(3-oxetanyl)phenyl]methoxy]-2-pyridinyl]-1-piperidinyl]methyl]-1-[(2s)-2-oxetanylmethyl]-

18. 2-[[4-[6-[[2-fluoro-4-(oxetan-3-yl)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

2.4 Create Date
2023-02-02
3 Chemical and Physical Properties
Molecular Weight 586.7 g/mol
Molecular Formula C33H35FN4O5
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area98.9
Heavy Atom Count43
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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