2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine - CAS 428854-23-3

Name: 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB065033
Product Name:	2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine
CAS:	428854-23-3
Synonyms:	(E)-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyriMidine-4,6-diaMine; 2-[1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-(2-phenyldiazenyl)-4,6-pyrimidinediamine; 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine; 2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine

Technical Data

Computed Properties

IUPAC Name:	2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine
Molecular Weight:	439.45
Molecular Formula:	C23H18FN9
Canonical SMILES:	C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N
InChI:	InChI=1S/C23H18FN9/c24-17-11-5-4-7-14(17)13-33-23-16(10-6-12-27-23)18(32-33)22-28-20(25)19(21(26)29-22)31-30-15-8-2-1-3-9-15/h1-12H,13H2,(H4,25,26,28,29)
InChI Key:	NSYPPYLRJKGGOV-UHFFFAOYSA-N

Complexity:	648
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	439.16691977
Formal Charge:	0
Heavy Atom Count:	33
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	439.16691977
Rotatable Bond Count:	5
Topological Polar Surface Area:	133Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6

2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine - CAS 428854-23-3

Technical Data

Computed Properties

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