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AZ 23

CAT: 0926-FA102951-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FA102951-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
915720-21-7
MDL Number
MFCD17215208
Smiles
C[C@@H] (C1=NC=C (C=C1) F) NC2=NC=C (C (=N2) NC3=CC (=NN3) OC (C) C) Cl
Molecular Formula
C17H19ClFN7O
Molecular Weight
391.83 g/mol
Controlled
No

Chemical Information

AZ-23
CAS Number915720-21-7
PubChem CID16097523
IUPAC Name5-chloro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
Molecular FormulaC17H19ClFN7O
Molecular Weight391.8
XLogP3.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity463
SMILES
C[C@@H](C1=NC=C(C=C1)F)NC2=NC=C(C(=N2)NC3=CC(=NN3)OC(C)C)Cl
InChI
InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
InChIKey
LBVKEEFIPBQIMD-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of AZ-23
CAS: 915720-21-7
CID: 16097523
Formula: C17H19ClFN7O
MW: 391.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.8
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass391.1323641
Monoisotopic Mass391.1323641
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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