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2D Structure
Also known as: 2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-4,5,6-pyrimidinetriamine, 2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidine-4,5,6-triamine, 2-(5-fluoro-1-((2-fluorophenyl)methyl)-1h-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine, 811-934-0, 1350653-30-3
Molecular Formula
C17H14F2N8
Molecular Weight
368.3  g/mol
InChI Key
DVTLORLSDKRODH-UHFFFAOYSA-N
FDA UNII
585N4V8YU4

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]pyrimidine-4,5,6-triamine
2.1.2 InChI
InChI=1S/C17H14F2N8/c18-9-5-10-13(16-24-14(21)12(20)15(22)25-16)26-27(17(10)23-6-9)7-8-3-1-2-4-11(8)19/h1-6H,7,20H2,(H4,21,22,24,25)
2.1.3 InChI Key
DVTLORLSDKRODH-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
585N4V8YU4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

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

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

3. 2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidine-4,5,6-triamine

4. 2-(5-fluoro-1-((2-fluorophenyl)methyl)-1h-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine

5. 811-934-0

6. 1350653-30-3

7. 2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

8. Schembl174875

9. Dvtlorlsdkrodh-uhfffaoysa-n

10. 585n4v8yu4

11. Dtxsid601117737

12. Sb17648

13. 2-{5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}pyrimidine-4,5,6-triamine

14. Cs-0066492

15. E80941

16. 2-[5-fluoro-1-(2-fluorobenzyl)-1 H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine

17. 2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3 Pound Not4-b]pyridin-3-yl)pyrimidine-4 Pound Not5 Pound Not6-triamine

18. 4,5,6-pyrimidinetriamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 368.3 g/mol
Molecular Formula C17H14F2N8
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area135
Heavy Atom Count27
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1