CAS 1350653-29-0

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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]-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

CAS 1350653-29-0

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 Formula	C₂₃H₁₇F₂N₉
Molecular Weight	457.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	133
Heavy Atom Count	34
Formal Charge	0
Complexity	681
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