CAS 1350653-30-3

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 8 Related Intermediates

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1 End Use APIs
8 Related Intermediates

Chemistry

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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

CAS 1350653-30-3

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 Formula	C₁₇H₁₄F₂N₈
Molecular Weight	368.3 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	135
Heavy Atom Count	27
Formal Charge	0
Complexity	501
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1