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2D Structure
Also known as: 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine, 811-933-5, 1350653-29-0, 4,6-pyrimidinediamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-, (e)-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-4,6-pyrimidinediamine
Molecular Formula
C23H17F2N9
Molecular Weight
457.4  g/mol
InChI Key
FGVPZKOMCCRZTI-UHFFFAOYSA-N
FDA UNII
NCX5S7ME44

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine
2.1.2 InChI
InChI=1S/C23H17F2N9/c24-14-10-16-18(33-34(23(16)28-11-14)12-13-6-4-5-9-17(13)25)22-29-20(26)19(21(27)30-22)32-31-15-7-2-1-3-8-15/h1-11H,12H2,(H4,26,27,29,30)
2.1.3 InChI Key
FGVPZKOMCCRZTI-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
NCX5S7ME44
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

2. 811-933-5

3. 1350653-29-0

4. 4,6-pyrimidinediamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-

5. (e)-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine

6. 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-4,6-pyrimidinediamine

7. 2-{5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}-5-[(1e)-2-phenyldiazen-1-yl]pyrimidine-4,6-diamine

8. Ncx5s7me44

9. Schembl174889

10. Schembl428374

11. Fgvpzkomccrzti-qnejgdqosa-n

12. Dtxsid001105756

13. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo [3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

14. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3 -yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

15. 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-(2-phenyldiazenyl)-4,6-pyrimidinediamine

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 457.4 g/mol
Molecular Formula C23H17F2N9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area133
Heavy Atom Count34
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1