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2D Structure
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

2D Structure

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 Weight 441.5 g/mol
Molecular Formula C23H28FN5O3
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area79.7
Heavy Atom Count32
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1