chempirical

Paliperidone

C23H27FN4O3CAS 144598-75-4426.49 g/mol

Open in Covalent MOL file
NNONNOFHO
AlcoholAryl halideTertiary amine

Properties

Molecular formula
C23H27FN4O3
Molar mass
426.49 g/mol
Exact mass
426.2067 Da
logP
3.08Crippen estimate
Polar surface area
84.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
144598-75-4
SMILES
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
InChIKey
PMXMIIMHBWHSKN-UHFFFAOYSA-N
InChI
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
  • 1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.
  • 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
  • R 76477
  • 9-Hydroxyrisperidone
  • RO 76477
  • Invega

Work with Paliperidone

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

Risperidone106266-06-276 % similar Paliperidone palmitate199739-10-168 % similar 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one130049-82-048 % similar Iloperidone133454-47-441 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole84163-77-940 % similar 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride84163-13-338 % similar

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

Elsewhere

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