chempirical

Acetildenafil

C25H34N6O3CAS 831217-01-7466.59 g/mol

Open in Covalent MOL file
NNONHONNON
EtherKetoneTertiary amine

Properties

Molecular formula
C25H34N6O3
Molar mass
466.59 g/mol
Exact mass
466.2692 Da
Melting point
129–131 °C
logP
2.50Crippen estimate
Polar surface area
96.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
9

Identifiers

CAS number
831217-01-7
SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCN(CC)CC4)ccc3OCC)nc12
InChIKey
RRBRQNALHKQCAI-UHFFFAOYSA-N
InChI
InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)

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-[2-ethoxy-5-[2-(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-
  • 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,4-dihydro-1-methyl-3-propyl-
  • 5-[2-Ethoxy-5-[2-(4-ethyl-1-piperazinyl)acetyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
  • Hongdenafil

Work with Acetildenafil

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

5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one139756-22-261 % similar Sildenafil139755-83-260 % similar Aildenafil496835-35-956 % similar Sildenafil citrate171599-83-051 % similar Udenafil268203-93-649 % similar Vardenafil dihydrochloride224789-15-545 % similar o-Desethyl sildenafil139755-91-244 % similar Vardenafil224785-90-440 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook