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1207253-08-4 | 5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide
CAS No: 1207253-08-4 Catalog No: AG003A2X MDL No:
Product Description
Catalog Number:
AG003A2X
Chemical Name:
5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide
CAS Number:
1207253-08-4
Molecular Formula:
C24H20ClN5O3
Molecular Weight:
461.9003
IUPAC Name:
5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
InChI:
InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
InChI Key:
CKTWQGHVNRYNCM-UHFFFAOYSA-N
SMILES:
COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC
UNII:
O812716S9E
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.125g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.906g/mol
Monoisotopic Mass:
461.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Orexin 2 Receptor Antagonism is Sufficient to Promote NREM and REM Sleep from Mouse to Man. | Scientific reports 20160101 |
| Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. | Bioorganic & medicinal chemistry letters 20141015 |
| Discovery of 5''-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide (MK-1064): a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. | ChemMedChem 20140201 |
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