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PDE5-IN-7 (Standard)

CAT: 0804-HY-W011336R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011336R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139756-21-1
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Smiles
O=C1C(N(C)N=C2CCC)=C2N=C(C3=CC=CC=C3OCC)N1
Molecular Formula
C17H20N4O2
Molecular Weight
312.37
References & Citations
[1]Haning H, et al. Imidazo[5,1-f]triazin-4 (3H) -ones, a new class of potent PDE 5 inhibitors. Bioorg Med Chem Lett. 2002 Mar 25;12 (6) :865-8. |[2]Assemat G, et al. Isolation and identification of ten new sildenafil derivatives in an alleged herbal supplement for sexual enhancement. J Pharm Biomed Anal. 2020 Nov 30;191:113482.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone

Imidazosagatriazinone is a pyrazolopyrimidine.

CAS Number139756-21-1
PubChem CID135401477
IUPAC Name5-(2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC17H20N4O2
Molecular Weight312.37
XLogP2.5
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity468
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=CC=CC=C3OCC)C
InChI
InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
InChIKey
MXQUEDUMKWBYHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CAS: 139756-21-1
CID: 135401477
Formula: C17H20N4O2
MW: 312.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.37
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass312.15862589
Monoisotopic Mass312.15862589
Topological Polar Surface Area68.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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