chempirical

2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one

C13H14ClN3OCAS 1013916-37-4263.73 g/mol

Open in Covalent MOL file
ONNClN
Aryl halide

Properties

Molecular formula
C13H14ClN3O
Molar mass
263.73 g/mol
Exact mass
263.0825 Da
logP
2.87Crippen estimate
Polar surface area
47.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1013916-37-4
SMILES
Cc1cc(=O)n(C2CCCC2)c2nc(Cl)ncc12
InChIKey
BSKNQSYIDZUXQT-UHFFFAOYSA-N
InChI
InChI=1S/C13H14ClN3O/c1-8-6-11(18)17(9-4-2-3-5-9)12-10(8)7-15-13(14)16-12/h6-7,9H,2-5H2,1H3

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Names and synonyms

3 names
  • Pyrido[2,3-d]pyrimidin-7(8H)-one, 2-chloro-8-cyclopentyl-5-methyl-
  • 2-Chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
  • 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

Work with 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one

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

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1016636-76-257 % similar 2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide1211443-61-646 % similar 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1211443-58-145 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-033 % similar Palbociclib571190-30-231 % similar

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

Elsewhere

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