2212021-60-6

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Also known as: 2212021-60-6, 5h-pyrazolo(4,3-c)pyridine-5-carboxylic acid, 3-((((2,2-dimethoxyethyl)amino)carbonyl)amino)-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4s)-, Refchem:538290, 895-459-4, Tert-butyl (s)-3-(3-(2,2-dimethoxyethyl)ureido)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate, Tert-butyl (s)-3-(3-(2,2-dimethoxyethyl)ureido]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

Molecular Formula

C₂₅H₃₆FN₅O₅

Molecular Weight

505.6 g/mol

InChI Key

CBUWRBUSKBYBBF-INIZCTEOSA-N

FDA UNII

RQZ5JW4HEZ

1 2D Structure

2212021-60-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (4S)-3-(2,2-dimethoxyethylcarbamoylamino)-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/C25H36FN5O5/c1-14-11-17(12-15(2)21(14)26)31-22(28-23(32)27-13-19(34-7)35-8)20-16(3)30(10-9-18(20)29-31)24(33)36-25(4,5)6/h11-12,16,19H,9-10,13H2,1-8H3,(H2,27,28,32)/t16-/m0/s1

2.1.3 InChI Key

CBUWRBUSKBYBBF-INIZCTEOSA-N

2.2 Other Identifiers

2.2.1 UNII

RQZ5JW4HEZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2212021-60-6

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

3. Refchem:538290

4. 895-459-4

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

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

7. Rqz5jw4hez

8. Orforglipron Impurity 24

9. Schembl20014817

10. G75139

11. F551473

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

13. 1,1-dimethylethyl (4s)-3-[[[(2,2-dimethoxyethyl)amino]carbonyl]amino]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

2.4 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₆FN₅O₅
Molecular Weight	505.6 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	107
Heavy Atom Count	36
Formal Charge	0
Complexity	752
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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