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ALK5-IN-8

CAT: 0607-BA9158-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9158-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2705900-81-6
Form
A solid
Molecular Formula
C19H15FN4O2
Molecular Weight
350.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Alk5-IN-8
CAS Number2705900-81-6
PubChem CID163196337
IUPAC Nameethyl 5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
Molecular FormulaC19H15FN4O2
Molecular Weight350.3
XLogP3
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity500
SMILES
CCOC(=O)C1=C2C=C(C=CN2N=C1)C3=C(NN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FN4O2/c1-2-26-19(25)16-11-22-24-8-7-13(9-17(16)24)15-10-21-23-18(15)12-3-5-14(20)6-4-12/h3-11H,2H2,1H3,(H,21,23)
InChIKey
GFFVSPZTWRNCIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alk5-IN-8
CAS: 2705900-81-6
CID: 163196337
Formula: C19H15FN4O2
MW: 350.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight350.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass350.11790390
Monoisotopic Mass350.11790390
Topological Polar Surface Area72.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes