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IDO-IN-13 5mg

CAT: 0628-A22587-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22587-5Size:5 mg
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CAS Number
2291164-02-6

Chemical Information

Ido-IN-13
CAS Number2291164-02-6
PubChem CID137521135
IUPAC Name5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
Molecular FormulaC26H17F3N4O
Molecular Weight458.4
XLogP5.6
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity706
SMILES
CC1=C(C=C(C=N1)C2=CC=CN3C2=CN=C3C4=C(C(=CC=C4)F)F)C(=O)NC5=CC=C(C=C5)F
InChI
InChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(19)14-31-25(33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34)
InChIKey
MBXPCHYYQRPOOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ido-IN-13
CAS: 2291164-02-6
CID: 137521135
Formula: C26H17F3N4O
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass458.13544566
Monoisotopic Mass458.13544566
Topological Polar Surface Area59.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity706
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