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Chemistry

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Also known as: 2170126-74-4, 4un9aou6g8, Bms986278, (1s,3s)-3-((2-methyl-6-(1-methyl-5-(((methyl(propyl)carbamoyl)oxy)methyl)-1h-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexane-1-carboxylic acid, Compound 33 [pmid: 34709814], (1s,3s)-3-[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]pyridin-3-yl]oxycyclohexane-1-carboxylic acid
Molecular Formula
C22H31N5O5
Molecular Weight
445.5  g/mol
InChI Key
UEUNDURNLYLSNB-HOTGVXAUSA-N
FDA UNII
4UN9AOU6G8

Admilparant
ADMILPARANT is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 3 investigational indications.
1 2D Structure

Admilparant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1
2.1.3 InChI Key
UEUNDURNLYLSNB-HOTGVXAUSA-N
2.2 Other Identifiers
2.2.1 UNII
4UN9AOU6G8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2170126-74-4

2. 4un9aou6g8

3. Bms986278

4. (1s,3s)-3-((2-methyl-6-(1-methyl-5-(((methyl(propyl)carbamoyl)oxy)methyl)-1h-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexane-1-carboxylic Acid

5. Compound 33 [pmid: 34709814]

6. (1s,3s)-3-[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]pyridin-3-yl]oxycyclohexane-1-carboxylic Acid

7. Cyclohexanecarboxylic Acid, 3-((2-methyl-6-(1-methyl-5-((((methylpropylamino)carbonyl)oxy)methyl)-1h-1,2,3-triazol-4-yl)-3-pyridinyl)oxy)-, (1s,3s)-

8. Compound 33 (pmid: 34709814)

9. (1s,3s)-3-({2-methyl-6-[1-methyl-5-({[methyl(propyl)carbamoyl]oxy}methyl)-1h-1,2,3-triazol-4-yl]pyridin-3-yl}oxy)cyclohexane-1-carboxylic Acid

10. (1s,3s)-3-(2-methyl-6-(1-methyl-5-((methyl(propyl)carbamoyl)oxymethyl)triazol-4-yl)pyridin-3-yl)oxycyclohexane-1-carboxylic Acid

11. Cyclohexanecarboxylic Acid, 3-[[2-methyl-6-[1-methyl-5-[[[(methylpropylamino)carbonyl]oxy]methyl]-1h-1,2,3-triazol-4-yl]-3-pyridinyl]oxy]-, (1s,3s)-

12. Refchem:120778

13. Admilparant

14. Unii-4un9aou6g8

15. Admilparant (usan)

16. Admilparant [usan]

17. Admilparant [inn]

18. Orb1691160

19. Chembl5087506

20. Schembl19715798

21. Schembl29399585

22. Gtpl11798

23. Yqf2574

24. Ex-a5516

25. Bdbm50581552

26. Akos040757379

27. Bms-986,278

28. Bms-986278?

29. Da-71598

30. Ms-28028

31. Hy-139853

32. Cs-0256104

33. D12657

34. F83338

35. (1s,3s)-3-((2-methyl-6-(1-methyl-5-(((methyl(propyl)carbamoyl)oxy)methyl)-1h-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexanecarboxylic Acid

2.4 Create Date
2018-01-29
3 Chemical and Physical Properties
Molecular Weight 445.5 g/mol
Molecular Formula C22H31N5O5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area120
Heavy Atom Count32
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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