Sildenafil

C22H30N6O4SCAS 139755-83-2474.58 g/mol

Open in Covalent MOL file
NNONHSOONNON
EtherSulfonamideTertiary amine

Properties

Molecular formula
C22H30N6O4S
Molar mass
474.58 g/mol
Exact mass
474.2049 Da
Melting point
188–190 °C
logP
1.61Crippen estimate
Polar surface area
113.4 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
139755-83-2
SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
InChIKey
BNRNXUUZRGQAQC-UHFFFAOYSA-N
InChI
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)

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Names and synonyms

8 names
  • 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-
  • Piperazine, 1-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methyl-
  • 1H-Pyrazolo[4,3-d]pyrimidine, piperazine deriv.
  • 5-[2-Ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
  • 5-[2-Ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
  • Revatio
  • Vizarsin
  • Patrex

Work with Sildenafil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sildenafil citrate171599-83-0Salt

Similar compounds

o-Desethyl sildenafil139755-91-277 % similar Aildenafil496835-35-976 % similar 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139756-22-272 % similar 5-(2-Ethoxyphenyl)-1-methyl-3-N-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]-7-pyrimidinone139756-21-163 % similar Udenafil268203-93-660 % similar Acetildenafil831217-01-760 % similar Vardenafil dihydrochloride224789-15-555 % similar Vardenafil224785-90-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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