1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride

2.1.2 InChI

InChI=1S/C14H11F2N5.ClH/c15-9-5-10-12(13(17)18)20-21(14(10)19-6-9)7-8-3-1-2-4-11(8)16;/h1-6H,7H2,(H3,17,18);1H

2.1.3 InChI Key

SAYWMFNKUAMSSN-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

8R6BM4GLX4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1h-pyrazolo(3,4-b)pyridine-3-carboximidamide, 5-fluoro-1-((2-fluorophenyl)methyl)-, Hydrochloride (1:1)

2. 1426309-48-9

3. 5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridine-3-carboximidamide Hydrochloride

4. 8r6bm4glx4

5. Schembl14990786

6. Saywmfnkuamssn-uhfffaoysa-n

7. Sb16353

8. 5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridine-3-carboximidamide Hydrochloride

2.4 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂ClF₂N₅
Molecular Weight	323.73 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80.6
Heavy Atom Count	22
Formal Charge	0
Complexity	394
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	2

CAS 1426309-48-9