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Piperiacetildenafil

CAT: 0572-TRC-P481480-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P481480-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147676-50-4
Synonyms
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[2-(1-piperidinyl)acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-; 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-(1-piperidinylacetyl)phenyl]-1,4-dihydro-1-methyl-3-propyl- (9CI); 5-(2-Ethoxy-5-piperidinoacetylphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one; Piperiacetildenafil
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)CN4CCCCC4
Molecular Formula
C24 H31 N5 O3
Molecular Weight
437.53
InChI
InChI=1S/C24H31N5O3/c1-4-9-18-21-22(28(3)27-18)24(31)26-23(25-21)17-14-16(10-11-20(17)32-5-2)19(30)15-29-12-7-6-8-13-29/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,25,26,31)
Additionnal Information
IUPAC name: 5-[2-ethoxy-5-(2-piperidin-1-ylacetyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Piperiacetildenafil
CAS Number147676-50-4
PubChem CID135564757
IUPAC Name5-[2-ethoxy-5-(2-piperidin-1-ylacetyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC24H31N5O3
Molecular Weight437.5
XLogP3.1
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity708
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCCCC4)OCC)C
InChI
InChI=1S/C24H31N5O3/c1-4-9-18-21-22(28(3)27-18)24(31)26-23(25-21)17-14-16(10-11-20(17)32-5-2)19(30)15-29-12-7-6-8-13-29/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,25,26,31)
InChIKey
SOYQUYOYQKGWNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperiacetildenafil
CAS: 147676-50-4
CID: 135564757
Formula: C24H31N5O3
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass437.24268987
Monoisotopic Mass437.24268987
Topological Polar Surface Area88.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity708
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

Alternative Products

CatalogName
RM-P091800-01Piperiacetildenafil
sc-476392Piperiacetildenafil-d10

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