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Also known as: Kd2mdj4gab, 2417135-66-9, N-(4-(2-methoxy-3-(1-(trideuteriomethyl)-1,2,4-triazol-3-yl)anilino)-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl)cyclopropanecarboxamide, N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide, Refchem:1084119, Envudeucitinibum

Molecular Formula

C₂₂H₂₄N₆O₃

Molecular Weight

426.5 g/mol

InChI Key

FKCATCQHVCOBCX-WFGJKAKNSA-N

FDA UNII

KD2MDJ4GAB

1 2D Structure

Envudeucitinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide

2.1.2 InChI

InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)/i1D3,2D3

2.1.3 InChI Key

FKCATCQHVCOBCX-WFGJKAKNSA-N

2.2 Other Identifiers

2.2.1 UNII

KD2MDJ4GAB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Kd2mdj4gab

2. 2417135-66-9

3. N-(4-(2-methoxy-3-(1-(trideuteriomethyl)-1,2,4-triazol-3-yl)anilino)-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl)cyclopropanecarboxamide

4. N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide

5. Refchem:1084119

6. Envudeucitinibum

7. Envudeucitinib [inn]

8. Envudeucitinib (usan/inn)

9. Envudeucitinib [usan]

10. Chembl5415395

11. Schembl30697049

12. Gtpl13205

13. Esk-001

14. Ftp-637

15. Yqf2513

16. Bdbm756380

17. Ex-a15179

18. Us12351572, Example 195

19. Hy-153701s

20. D13123

21. Cyclopropanecarboxamide, N-[4-[[2-methoxy-3-[1-(methyl-d3)-1h-1,2,4-triazol-3-yl]phenyl]amino]-5-(1-oxopropyl-3,3,3-d3)-2-pyridinyl]-

22. N-(4-((2-methoxy-3-(1-(methyl-d3)-1h-1,2,4-triazol-3-yl)phenyl)amino)-5-(propanoyl-3,3,3-d3)pyridin-2-yl)cyclopropanecarboxamide

23. N-[4-[[2-methoxy-3-[1-(methyl-d3)-1h-1,2,4-triazol-3-yl]phenyl]amino]-5-(1-oxopropyl-3,3,3-d3)-2-pyridinyl]cyclopropanecarboxamide

2.4 Create Date

2021-12-03

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄N₆O₃
Molecular Weight	426.5 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	111
Heavy Atom Count	31
Formal Charge	0
Complexity	645
Isotope Atom Count	6
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

Drugs in Development

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