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BI-1935

CAT: 0607-BA7687-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA7687-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
940954-41-6
Form
A solid
Molecular Formula
C24H21F3N6O3
Molecular Weight
498.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

BI-1935
CAS Number940954-41-6
PubChem CID57861407
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
Molecular FormulaC24H21F3N6O3
Molecular Weight498.5
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity851
SMILES
CCOCCN1C=C(C=CC1=O)C(=O)NC2=NC=C(C=C2)N3C(=CC(=N3)C4=CN=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H21F3N6O3/c1-2-36-11-10-32-15-17(5-8-22(32)34)23(35)30-21-7-6-18(14-29-21)33-20(24(25,26)27)12-19(31-33)16-4-3-9-28-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,29,30,35)
InChIKey
KMESAVNRPDKZCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BI-1935
CAS: 940954-41-6
CID: 57861407
Formula: C24H21F3N6O3
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass498.16272304
Monoisotopic Mass498.16272304
Topological Polar Surface Area102 Ų
Heavy Atom Count36
Formal Charge0
Complexity851
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

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