CAS 2212021-61-7

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1 Suppliers, 1 End Use APIs, 6 Related Intermediates

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1 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 2212021-61-7, 5h-pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-(2,3-dihydro-2-oxo-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4s)-, 895-461-5, Tert-butyl (s)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate, Schembl20014787, Ex-a8006s

Molecular Formula

C₂₃H₂₈FN₅O₃

Molecular Weight

441.5 g/mol

InChI Key

QQFGLFJMCFLDIO-HNNXBMFYSA-N

1 2D Structure

CAS 2212021-61-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

2.1.2 InChI

InChI=1S/C23H28FN5O3/c1-13-11-16(12-14(2)19(13)24)29-20(28-10-8-25-21(28)30)18-15(3)27(9-7-17(18)26-29)22(31)32-23(4,5)6/h8,10-12,15H,7,9H2,1-6H3,(H,25,30)/t15-/m0/s1

2.1.3 InChI Key

QQFGLFJMCFLDIO-HNNXBMFYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2212021-61-7

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

3. 895-461-5

4. Tert-butyl (s)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

5. Schembl20014787

6. Ex-a8006s

7. G83518

8. (s)-tert-butyl 2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-3-(2-oxo-2,3-dihydro-1h-imidazol-1-yl)-6,7-dihydro-2h-pyrazolo[4,3-c]pyridine-5(4h)-carboxylate

9. 5h-pyrazolo[4,3-c]pyridine-5-carboxylicacid,3-(2,3-dihydro-2-oxo-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-,1,1-dimethylethylester,(4s)-

2.3 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₈FN₅O₃
Molecular Weight	441.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	79.7
Heavy Atom Count	32
Formal Charge	0
Complexity	759
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