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5F-PCN

CAT: 0926-CP175198Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0926-CP175198Size:0.05 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2219332-48-4
Smiles
C1=CC=C2C (=C1) C=CC=C2NC (=O) C3=CN (C4=C3C=NC=C4) CCCCCF
Controlled
Yes

Chemical Information

5F-Pcn
CAS Number2219332-48-4
PubChem CID125181244
IUPAC Name1-(5-fluoropentyl)-N-naphthalen-1-ylpyrrolo[3,2-c]pyridine-3-carboxamide
Molecular FormulaC23H22FN3O
Molecular Weight375.4
XLogP4.4
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity516
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CN(C4=C3C=NC=C4)CCCCCF
InChI
InChI=1S/C23H22FN3O/c24-12-4-1-5-14-27-16-20(19-15-25-13-11-22(19)27)23(28)26-21-10-6-8-17-7-2-3-9-18(17)21/h2-3,6-11,13,15-16H,1,4-5,12,14H2,(H,26,28)
InChIKey
BRRZRRZUERBDQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5F-Pcn
CAS: 2219332-48-4
CID: 125181244
Formula: C23H22FN3O
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass375.17469050
Monoisotopic Mass375.17469050
Topological Polar Surface Area46.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity516
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