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205701-85-5 | PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBOXAMIDE, 5-(ETHOXYMETHYL)-7-FLUORO-N-(2-FLUOROPHENYL)-1,2,3,5-TETRAHYDRO-3-OXO-
CAS No: 205701-85-5 Catalog No: AG002AB8 MDL No:
Product Description
Catalog Number:
AG002AB8
Chemical Name:
PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBOXAMIDE, 5-(ETHOXYMETHYL)-7-FLUORO-N-(2-FLUOROPHENYL)-1,2,3,5-TETRAHYDRO-3-OXO-
CAS Number:
205701-85-5
Molecular Formula:
C21H19F2N3O3
Molecular Weight:
399.3907
IUPAC Name:
5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
InChI:
InChI=1S/C21H19F2N3O3/c1-2-29-12-26-17-11-13(22)7-8-16(17)25-10-9-18(27)19(21(25)26)20(28)24-15-6-4-3-5-14(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28)
InChI Key:
VQOQDABVGWLROX-UHFFFAOYSA-N
SMILES:
CCOCn1c2cc(F)ccc2n2c1=C(C(=O)CC2)C(=O)Nc1ccccc1F
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.139g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.398g/mol
Monoisotopic Mass:
399.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Metabolism of the new nonbenzodiazepine anxiolytic agent, RWJ-51204, in mouse, rat, dog, monkey and human hepatic S9 fractions, and in rats, dogs and humans. | European journal of drug metabolism and pharmacokinetics 20040101 |
| 5-ethoxymethyl-7-fluoro-3-oxo-1,2,3,5-tetrahydrobenzo[4,5]imidazo[1,2a]pyridine-4-N-(2-fluorophenyl)carboxamide (RWJ-51204), a new nonbenzodiazepine anxiolytic. | The Journal of pharmacology and experimental therapeutics 20021101 |
| Potential anxiolytic agents. Part 4: novel orally-active N(5)-substituted pyrido[1,2-a]benzimidazoles with high GABA-A receptor affinity. | Bioorganic & medicinal chemistry letters 20020902 |
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