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2D Structure
Also known as: 2200336-20-3, Onradivir [inn], Cze6g5g466, (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo(2.2.2)octane-2-carboxylic acid, (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)bicyclo(2.2.2)octane-2-carboxylic acid, Bicyclo(2.2.2)octane-2-carboxylic acid, 3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, (2s,3s)-
Molecular Formula
C22H22F2N6O2
Molecular Weight
440.4  g/mol
InChI Key
JCHDJLSIYWBAHI-ZWHBIUKWSA-N
FDA UNII
CZE6G5G466

ONRADIVIR is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3S)-3-[[6-cyclopropyl-5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
2.1.2 InChI
InChI=1S/C22H22F2N6O2/c23-12-7-13-18(29-30-19(13)25-8-12)21-27-17(11-5-6-11)15(24)20(28-21)26-16-10-3-1-9(2-4-10)14(16)22(31)32/h7-11,14,16H,1-6H2,(H,31,32)(H,25,29,30)(H,26,27,28)/t9?,10?,14-,16-/m0/s1
2.1.3 InChI Key
JCHDJLSIYWBAHI-ZWHBIUKWSA-N
2.2 Other Identifiers
2.2.1 UNII
CZE6G5G466
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2200336-20-3

2. Onradivir [inn]

3. Cze6g5g466

4. (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo(2.2.2)octane-2-carboxylic Acid

5. (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)bicyclo(2.2.2)octane-2-carboxylic Acid

6. Bicyclo(2.2.2)octane-2-carboxylic Acid, 3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, (2s,3s)-

7. Refchem:168306

8. Unii-cze6g5g466

9. Chembl5095075

10. Schembl21128398

11. Glxc-26953

12. Ex-a12514

13. (2s,3s)-3-[[6-cyclopropyl-5-fluoro-2-(5-fluoro-2h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic Acid

14. Da-66347

15. Hy-145586

16. Cs-0376485

2.4 Create Date
2019-07-20
3 Chemical and Physical Properties
Molecular Weight 440.4 g/mol
Molecular Formula C22H22F2N6O2
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area117
Heavy Atom Count32
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1