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Also known as: Hc-5404, 2247396-91-2, Chembl4862478, Orb2566139, Z61gqt119g, Schembl23044519

Molecular Formula

C₂₄H₂₄F₂N₄O₃

Molecular Weight

454.5 g/mol

InChI Key

BRIWRAFDHZTJPE-OAQYLSRUSA-N

FDA UNII

Z61GQT119G

1 2D Structure

HC-5404

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1

2.1.3 InChI Key

BRIWRAFDHZTJPE-OAQYLSRUSA-N

2.2 Other Identifiers

2.2.1 UNII

Z61GQT119G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Hc-5404

2. 2247396-91-2

3. Chembl4862478

4. Orb2566139

5. Z61gqt119g

6. Schembl23044519

7. Schembl29688162

8. Schembl30475705

9. Gtpl13275

10. Hc-5404-fu

11. Ex-a8670

12. Bdbm50570941

13. Compound 4 [pmid: 33895276]

14. Da-53863

15. Hy-157231

16. Cs-0907951

17. 2-amino-5-(4-(((2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl)amino)-2-methylphenyl)-n-(1-methylethyl)-3-pyridinecarboxamide

18. 2-amino-5-[4-[[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-n-propan-2-ylpyridine-3-carboxamide

19. 3-pyridinecarboxamide, 2-amino-5-(4-(((2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl)amino)-2-methylphenyl)-n-(1-methylethyl)-

2.4 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₄F₂N₄O₃
Molecular Weight	454.5 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	117
Heavy Atom Count	33
Formal Charge	0
Complexity	672
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