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14 Drugs in Development

14 Drugs in Development

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Also known as: Btk-in-30, 2662512-15-2, [(2s,5s)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol, [(2s,5s)-5-{4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl}oxan-2-yl]methanol, Birelentinib [inn], Orb2566759

Molecular Formula

C₂₃H₂₁F₂N₅O₃

Molecular Weight

453.4 g/mol

InChI Key

NQJKXHPWHYRGST-ZBFHGGJFSA-N

FDA UNII

Z2F599L9GD

1 2D Structure

Birelentinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,5S)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol

2.1.2 InChI

InChI=1S/C23H21F2N5O3/c24-17-2-1-3-18(19(17)25)33-15-7-4-13(5-8-15)20-21-22(26)27-12-28-30(21)23(29-20)14-6-9-16(10-31)32-11-14/h1-5,7-8,12,14,16,31H,6,9-11H2,(H2,26,27,28)/t14-,16+/m1/s1

2.1.3 InChI Key

NQJKXHPWHYRGST-ZBFHGGJFSA-N

2.2 Other Identifiers

2.2.1 UNII

Z2F599L9GD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Btk-in-30

2. 2662512-15-2

3. [(2s,5s)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol

4. [(2s,5s)-5-{4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl}oxan-2-yl]methanol

5. Birelentinib [inn]

6. Orb2566759

7. Z2f599l9gd

8. Schembl23611096

9. Gtpl13735

10. Dzd8586

11. Dzd-8586

12. Compound 14 [wo2021136219a1]

13. Hy-160167

14. Cs-0925921

15. (2s,5s)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]tetrahydro-2h-pyran-2-methanol

16. 2h-pyran-2-methanol, 5-(4-amino-5-(4-(2,3-difluorophenoxy)phenyl)imidazo(5,1-f)(1,2,4)triazin-7-yl)tetrahydro-, (2s,5s)-

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₁F₂N₅O₃
Molecular Weight	453.4 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	108
Heavy Atom Count	33
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1