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MBM-55

CAT: 0127-BUP08637-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08637-06Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2083622-09-5
Purity
=98%
Smiles
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1

Chemical Information

4-(7-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)-2-((3-fluorobenzyl)oxy)benzamide
CAS Number2083622-09-5
PubChem CID137636872
IUPAC Name4-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(3-fluorophenyl)methoxy]benzamide
Molecular FormulaC28H27FN6O2
Molecular Weight498.6
XLogP3.8
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity758
SMILES
CN(C)CCN1C=C(C=N1)C2=CC3=NC=C(N3C=C2)C4=CC(=C(C=C4)C(=O)N)OCC5=CC(=CC=C5)F
InChI
InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36)
InChIKey
CGECJCJUHCZZGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(7-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)-2-((3-fluorobenzyl)oxy)benzamide
CAS: 2083622-09-5
CID: 137636872
Formula: C28H27FN6O2
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass498.21795229
Monoisotopic Mass498.21795229
Topological Polar Surface Area90.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity758
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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