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380603-10-1 | 1-Cyclopropyl-3-((1-(3-hydroxypropyl)-1H-benzo[d]imidazol-2-yl)methyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
CAS No: 380603-10-1 Catalog No: AG0076FK MDL No:
Product Description
Catalog Number:
AG0076FK
Chemical Name:
1-Cyclopropyl-3-((1-(3-hydroxypropyl)-1H-benzo[d]imidazol-2-yl)methyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
CAS Number:
380603-10-1
Molecular Formula:
C20H21N5O2
Molecular Weight:
363.4130
IUPAC Name:
1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
InChI:
InChI=1S/C20H21N5O2/c26-11-3-10-23-16-5-2-1-4-15(16)22-19(23)13-24-18-12-21-9-8-17(18)25(20(24)27)14-6-7-14/h1-2,4-5,8-9,12,14,26H,3,6-7,10-11,13H2
InChI Key:
ANQAHRBJLMNFAK-UHFFFAOYSA-N
SMILES:
OCCCn1c(nc2c1cccc2)Cn1c(=O)n(c2c1cncc2)C1CC1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.421g/mol
Monoisotopic Mass:
363.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. | Bioorganic & medicinal chemistry letters 20090815 |
| Respiratory syncytial virus fusion inhibitors. Part 6: an examination of the effect of structural variation of the benzimidazol-2-one heterocycle moiety. | Bioorganic & medicinal chemistry letters 20070901 |
| Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. | Bioorganic & medicinal chemistry letters 20070215 |
| Prospects and strategies for the discovery and development of small-molecule inhibitors of six-helix bundle formation in class 1 viral fusion proteins. | Current opinion in investigational drugs (London, England : 2000) 20060201 |
| Antiviral activity and molecular mechanism of an orally active respiratory syncytial virus fusion inhibitor. | The Journal of antimicrobial chemotherapy 20050301 |
| Orally active fusion inhibitor of respiratory syncytial virus. | Antimicrobial agents and chemotherapy 20040201 |
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