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CSF1R-IN-1

CAT: 0607-BA8854-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8854-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095849-04-8
Form
A solid
Molecular Formula
C25H20F3N5O2
Molecular Weight
479.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Csf1R-IN-1
CAS Number2095849-04-8
PubChem CID137333440
IUPAC Name5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide
Molecular FormulaC25H20F3N5O2
Molecular Weight479.5
XLogP3.7
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity751
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=CC(=C3)C4=CN(N=C4)C
InChI
InChI=1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35)
InChIKey
BMEXIUCHJUGPRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Csf1R-IN-1
CAS: 2095849-04-8
CID: 137333440
Formula: C25H20F3N5O2
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass479.15690938
Monoisotopic Mass479.15690938
Topological Polar Surface Area88.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity751
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