chempirical

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

C17H20N4O2CAS 139756-21-1312.37 g/mol

Open in Covalent MOL file
NNNNHOO
Ether

Properties

Molecular formula
C17H20N4O2
Molar mass
312.37 g/mol
Exact mass
312.1586 Da
logP
2.67Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
139756-21-1
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=CC=CC=C3OCC)C
InChIKey
MXQUEDUMKWBYHI-UHFFFAOYSA-N
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)

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Work with 5-(2-Ethoxyphenyl)-1-methyl-3-N-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]-7-pyrimidinone

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-one139756-22-270 % similar Sildenafil139755-83-263 % similar Acetildenafil831217-01-763 % similar Aildenafil496835-35-961 % similar Udenafil268203-93-651 % similar Sildenafil citrate171599-83-050 % similar o-Desethyl sildenafil139755-91-249 % similar Vardenafil dihydrochloride224789-15-536 % similar

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

Same formula

2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one224789-21-3

Elsewhere

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