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2D Structure
Also known as: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Compound 18e [pmid: 31670517], Refchem:1082124, Jak2/flt3-in-1, 2387765-27-5, Flonoltinib
Molecular Formula
C25H34FN7O
Molecular Weight
467.6  g/mol
InChI Key
CVLXNRIQVFIVGY-UHFFFAOYSA-N
FDA UNII
S7MM9VTS3Z

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]ethanol
2.1.2 InChI
InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
2.1.3 InChI Key
CVLXNRIQVFIVGY-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
S7MM9VTS3Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol

2. Compound 18e [pmid: 31670517]

3. Refchem:1082124

4. Jak2/flt3-in-1

5. 2387765-27-5

6. Flonoltinib

7. Chembl4447631

8. 36h

9. S7mm9vts3z

10. Orb1709375

11. Schembl24663803

12. Schembl29530956

13. Gtpl10549

14. Tqr1339

15. Ex-a6364

16. Bdbm50505817

17. Akos040733486

18. Hy-130247

19. Cs-0106019

20. G17143

21. 2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethanol

22. 2-[[1-[2-fluoro-4-[[5-methyl-4-[1-(1-methylethyl)-1h-pyrazol-4-yl]-2-pyrimidinyl]amino]phenyl]-4-piperidinyl]methylamino]ethanol

23. Ethanol, 2-[[1-[2-fluoro-4-[[5-methyl-4-[1-(1-methylethyl)-1h-pyrazol-4-yl]-2-pyrimidinyl]amino]phenyl]-4-piperidinyl]methylamino]-

2.4 Create Date
2019-11-29
3 Chemical and Physical Properties
Molecular Weight 467.6 g/mol
Molecular Formula C25H34FN7O
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area82.3
Heavy Atom Count34
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1