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Chemistry

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Also known as: 2169273-59-8, Atinvicitinib [inn], C238ye66p2, 1-((3r,4s)-4-cyanotetrahydro-2h-pyran-3-yl)-3-((2-fluoro-6-methoxy-4-pyridinyl)amino)-1h-pyrazole-4-carboxamide, 1h-pyrazole-4-carboxamide, 1-((3r,4s)-4-cyanotetrahydro-2h-pyran-3-yl)-3-((2-fluoro-6-methoxy-4-pyridinyl)amino)-, Refchem:115425
Molecular Formula
C16H17FN6O3
Molecular Weight
360.34  g/mol
InChI Key
PRQMBGDYXWVEHE-SKDRFNHKSA-N
FDA UNII
C238YE66P2

Atinvicitinib
Atinvicitinib is a small molecule drug. The usage of the INN stem '-citinib' in the name indicates that Atinvicitinib is a Janus kinase inhibitor. Atinvicitinib has a monoisotopic molecular weight of 360.13 Da.
1 2D Structure

Atinvicitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(3R,4S)-4-cyanooxan-3-yl]-3-[(2-fluoro-6-methoxy-4-pyridinyl)amino]pyrazole-4-carboxamide
2.1.2 InChI
InChI=1S/C16H17FN6O3/c1-25-14-5-10(4-13(17)21-14)20-16-11(15(19)24)7-23(22-16)12-8-26-3-2-9(12)6-18/h4-5,7,9,12H,2-3,8H2,1H3,(H2,19,24)(H,20,21,22)/t9-,12+/m1/s1
2.1.3 InChI Key
PRQMBGDYXWVEHE-SKDRFNHKSA-N
2.2 Other Identifiers
2.2.1 UNII
C238YE66P2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2169273-59-8

2. Atinvicitinib [inn]

3. C238ye66p2

4. 1-((3r,4s)-4-cyanotetrahydro-2h-pyran-3-yl)-3-((2-fluoro-6-methoxy-4-pyridinyl)amino)-1h-pyrazole-4-carboxamide

5. 1h-pyrazole-4-carboxamide, 1-((3r,4s)-4-cyanotetrahydro-2h-pyran-3-yl)-3-((2-fluoro-6-methoxy-4-pyridinyl)amino)-

6. Refchem:115425

7. Unii-c238ye66p2

8. Chembl4066193

9. 1-((3r,4s)-4-cyanotetrahydro-2h-pyran-3-yl)-3-((2-fluoro-6-methoxypyridin-4-yl)amino)-1h-pyrazole-4-carboxamide

10. 1-[(3r,4s)-4-cyanooxan-3-yl]-3-[(2-fluoro-6-methoxypyridin-4-yl)amino]pyrazole-4-carboxamide

11. Orb3027320

12. Schembl20284832

13. Schembl29794840

14. Glxc-26807

15. Bdbm50250929

16. Akos040757378

17. Da-61294

18. Hy-145551

19. Cs-0375961

20. T39646

2.4 Create Date
2018-12-15
3 Chemical and Physical Properties
Molecular Weight 360.34 g/mol
Molecular Formula C16H17FN6O3
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area128
Heavy Atom Count26
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

ATCvet Code

QD - Dermatologicals

QD11 - Other dermatological preparations

QD11A - Other dermatological preparations

QD11AH - Agents for dermatitis, excluding corticosteroids

QD11AH93 - Atinvicitinib


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