(4-(1H-Pyrazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl pivalate

C₁₅H₁₇N₅O₂CAS 1146629-77-7299.33 g/mol

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Properties

Molecular formula: C₁₅H₁₇N₅O₂
Molar mass: 299.33 g/mol
Exact mass: 299.1382 Da
logP: 2.37Crippen estimate
Polar surface area: 85.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1146629-77-7

SMILES

CC(C)(C)C(=O)OCN1C=CC2=C(N=CN=C21)C3=CNN=C3

InChIKey

CPGIWDOJHYCMRW-UHFFFAOYSA-N

InChI

InChI=1S/C15H17N5O2/c1-15(2,3)14(21)22-9-20-5-4-11-12(10-6-18-19-7-10)16-8-17-13(11)20/h4-8H,9H2,1-3H3,(H,18,19)

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Names and synonyms

1 names

[4-(1H-Pyrazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidin-7-yl]methyl pivalate

Work with (4-(1H-Pyrazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl pivalate

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

(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate1146629-75-561 % similar Adefovir dipivoxil142340-99-633 % similar [[[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]hydroxyphosphinyl]oxy]methyl 2,2-dimethylpropanoate142341-05-731 % similar

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

Elsewhere

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