2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid

C₁₂H₁₂ClN₃O₂CAS 1211443-58-1265.70 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₂H₁₂ClN₃O₂
Molar mass: 265.70 g/mol
Exact mass: 265.0618 Da
logP: 2.90Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

1211443-58-1

SMILES

O=C(O)c1cc2cnc(Cl)nc2n1C1CCCC1

InChIKey

LXCZVGKSFJMLRO-UHFFFAOYSA-N

InChI

InChI=1S/C12H12ClN3O2/c13-12-14-6-7-5-9(11(17)18)16(10(7)15-12)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,17,18)

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Names and synonyms

1 names

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-cyclopentyl-

Work with 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid

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-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide1211443-61-667 % similar 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1013916-37-445 % similar 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1016636-76-241 % similar Ribociclib1211441-98-333 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-033 % similar 1-Methyl-1H-indole-2-carboxylic acid16136-58-633 % similar 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid100361-18-032 % similar 6-Chloronicotinic acid5326-23-832 % similar

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

Elsewhere

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