AZ960

CAT: 0127-BUP05070-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05070-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

905586-69-8

Synonyms

AZ 960

Purity

=95%

Smiles

C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(F)cc1C#N)c1ccc(F)cc1

Chemical Information

AZ-960

CAS Number	905586-69-8
PubChem CID	25099184
IUPAC Name	5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
Molecular Formula	C18H16F2N6
Molecular Weight	354.4
XLogP	4.4
Topological Polar Surface Area	89.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	503

SMILES

CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F

InChI

InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1

InChIKey

SUNXHXDJOIXABJ-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 905586-69-8

CID: 25099184

Formula: C18H16F2N6

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	354.14045086
Monoisotopic Mass	354.14045086
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	503
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M16510-01	AZ960