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GNE-6468 50mg

CAT: 0628-A20780-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20780-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1677668-27-7

Chemical Information

4-[6-(2-Chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid
CAS Number1677668-27-7
PubChem CID117964975
IUPAC Name4-[6-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid
Molecular FormulaC23H16ClN3O4
Molecular Weight433.8
XLogP5.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity704
SMILES
C1CC1C2=C(C(=CC=C2)Cl)C(=O)C3=NC(=C4N3C=CC=N4)C5=CC(=C(C=C5)C(=O)O)O
InChI
InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
InChIKey
GIYKJPISDNWSJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-(2-Chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid
CAS: 1677668-27-7
CID: 117964975
Formula: C23H16ClN3O4
MW: 433.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.8
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.0829337
Monoisotopic Mass433.0829337
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity704
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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