CAS 2212021-59-3

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2212021-59-3

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Also known as: 2212021-59-3, 5h-pyrazolo(4,3-c)pyridine-5-carboxylic acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4s), Refchem:538292, 889-020-6, Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate, Tert-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate

Molecular Formula

C₂₀H₂₇FN₄O₂

Molecular Weight

374.5 g/mol

InChI Key

JPVNBRWFGNCDLO-ZDUSSCGKSA-N

FDA UNII

32PPS2R6U4

1 2D Structure

CAS 2212021-59-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (4S)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

2.1.2 InChI

InChI=1S/C20H27FN4O2/c1-11-9-14(10-12(2)17(11)21)25-18(22)16-13(3)24(8-7-15(16)23-25)19(26)27-20(4,5)6/h9-10,13H,7-8,22H2,1-6H3/t13-/m0/s1

2.1.3 InChI Key

JPVNBRWFGNCDLO-ZDUSSCGKSA-N

2.2 Other Identifiers

2.2.1 UNII

32PPS2R6U4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2212021-59-3

2. 5h-pyrazolo(4,3-c)pyridine-5-carboxylic Acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl Ester, (4s)

3. Refchem:538292

4. 889-020-6

5. Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

6. Tert-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate

7. Tert-butyl (s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo [4,3-c]pyridine-5-carboxylate

8. C20h27fn4o2

9. Orforglipron Impurity 34

10. 32pps2r6u4

11. Schembl20014821

12. Mfcd34686615

13. Sy326592

14. F93756

15. F986024

16. (4s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylic Acid Tert-butyl Ester

17. (s)-5-boc-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-3-amine

18. (s)-tert-butyl 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-2h-pyrazolo[4,3-c]pyridine-5(4h)-carboxylate

19. 1,1-dimethylethyl (4s)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

20. 5h-pyrazolo[4,3-c]pyridine-5-carboxylic Acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl Ester, (4s)-

21. T-butyl (4s)-3-amino-2-(4-fluoro-3,5-dimethyl-phenyl)-4-methyl-6,7-dihydro-4h-pyrazolo[4,3-c]pyridine-5-carboxylate

2.4 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₇FN₄O₂
Molecular Weight	374.5 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	73.4
Heavy Atom Count	27
Formal Charge	0
Complexity	543
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

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