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Home > Fluorides > 158984-93-1
158984-93-1 | 1H-Pyrrolo[2,3-b]pyridine, 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-
CAS No: 158984-93-1 Catalog No: AG001R26 MDL No:
Product Description
Catalog Number:
AG001R26
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-
CAS Number:
158984-93-1
Molecular Formula:
C18H19FN4
Molecular Weight:
310.3687
IUPAC Name:
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
InChI Key:
HNCAIEASLRMRKM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.376g/mol
Monoisotopic Mass:
310.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands. | Bioorganic & medicinal chemistry letters 20010604 |
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