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2D Structure
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

2D Structure

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 Weight 505.6 g/mol
Molecular Formula C25H36FN5O5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area107
Heavy Atom Count36
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1