chempirical

Aildenafil

C23H32N6O4SCAS 496835-35-9488.61 g/mol

Open in Covalent MOL file
NNONHSOONNHON
EtherSecondary amineSulfonamide

Properties

Molecular formula
C23H32N6O4S
Molar mass
488.61 g/mol
Exact mass
488.2206 Da
logP
2.05Crippen estimate
Polar surface area
122.2 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7
Stereocentres
R, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
496835-35-9
SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4C[C@@H](C)N[C@@H](C)C4)ccc3OCC)nc12
InChIKey
NFSWSZIPXJAYLR-GASCZTMLNA-N
InChI
InChI=1/C23H32N6O4S/c1-6-8-18-20-21(28(5)27-18)23(30)26-22(25-20)17-11-16(9-10-19(17)33-7-2)34(31,32)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,30)/t14-,15+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-, rel-
  • Piperazine, 1-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-3,5-dimethyl-, (3R,5S)-rel-
  • Rel-5-[5-[[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
  • Methisosildenafil

Work with Aildenafil

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

Similar compounds

Sildenafil139755-83-276 % similar 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139756-22-269 % similar Sildenafil citrate171599-83-061 % similar 5-(2-Ethoxyphenyl)-1-methyl-3-N-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]-7-pyrimidinone139756-21-161 % similar o-Desethyl sildenafil139755-91-258 % similar Udenafil268203-93-658 % similar Acetildenafil831217-01-756 % similar Vardenafil dihydrochloride224789-15-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Vardenafil224785-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook