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944808-88-2 | 2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole
CAS No: 944808-88-2 Catalog No: AG003OPY MDL No:MFCD11976899
Product Description
Catalog Number:
AG003OPY
Chemical Name:
2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole
CAS Number:
944808-88-2
Molecular Formula:
C18H17ClFN5O2
Molecular Weight:
389.8113
MDL Number:
MFCD11976899
IUPAC Name:
2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
InChI Key:
WFOFPVXMPTVOTJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)OC1CCN(CC1)c1ccc(nn1)c1nnc(o1)C)Cl
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.815g/mol
Monoisotopic Mass:
389.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors. | Journal of medicinal chemistry 20070628 |
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