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VU0453595

CAT: 0931-T29137-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T29137-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432436-13-9
Target
AChR
Related Pathways
Neuroscience
Purity
0.9991
Bioactivity
VU0453595 is a M1 positive allosteric modulator (PAM) .
Smiles
Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
Molecular Formula
C18H15FN4O
Molecular Weight
322.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CAS Number1432436-13-9
PubChem CID71555066
IUPAC Name6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Molecular FormulaC18H15FN4O
Molecular Weight322.3
XLogP1.5
Topological Polar Surface Area51
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity476
SMILES
CN1C=C(C=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C=CC=N4)F
InChI
InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
InChIKey
LIZQOZALTSDKFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CAS: 1432436-13-9
CID: 71555066
Formula: C18H15FN4O
MW: 322.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.3
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass322.12298928
Monoisotopic Mass322.12298928
Topological Polar Surface Area51 Ų
Heavy Atom Count24
Formal Charge0
Complexity476
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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