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KAI-407

CAT: 0013-GTR19209713-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209713-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KAI-407
CAS Number
1513879-18-9
Smiles
C (N (C) C1=CC=C (C#N) C=C1) (=O) C2=CN3C (=CN=C3C=N2) C4=CC=C (C (F) (F) F) C=C4
Molecular Formula
C22H14F3N5O
Molecular Weight
421.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CAS Number1513879-18-9
PubChem CID74767274
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
Molecular FormulaC22H14F3N5O
Molecular Weight421.4
XLogP4.3
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
CN(C1=CC=C(C=C1)C#N)C(=O)C2=CN3C(=CN=C3C=N2)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H14F3N5O/c1-29(17-8-2-14(10-26)3-9-17)21(31)18-13-30-19(11-28-20(30)12-27-18)15-4-6-16(7-5-15)22(23,24)25/h2-9,11-13H,1H3
InChIKey
XAZOWMVYGFASLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide
CAS: 1513879-18-9
CID: 74767274
Formula: C22H14F3N5O
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass421.11504457
Monoisotopic Mass421.11504457
Topological Polar Surface Area74.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
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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