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

C₁₃H₁₃BrClN₃OCAS 1016636-76-2342.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₃BrClN₃O
Molar mass: 342.62 g/mol
Exact mass: 340.9931 Da
logP: 3.63Crippen estimate
Polar surface area: 47.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1016636-76-2

SMILES

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Cl)ncc12

InChIKey

HJQCAEDIUJXGCQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3

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Names and synonyms

2 names

Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-
6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

Work with 6-Bromo-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

2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1013916-37-457 % similar tert-Butyl 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-D]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylate571188-82-449 % similar 2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide1211443-61-642 % similar 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1211443-58-141 % similar Palbociclib571190-30-240 % similar

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

Elsewhere

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