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-carboxylate

C₂₇H₃₄BrN₇O₃CAS 571188-82-4584.52 g/mol

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Aryl halide Carbamate Secondary amine Tertiary amine

Properties

Molecular formula: C₂₇H₃₄BrN₇O₃
Molar mass: 584.52 g/mol
Exact mass: 583.1907 Da
Melting point: above 250 °C
logP: 5.17Crippen estimate
Polar surface area: 105.5 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 4

Identifiers

CAS number

571188-82-4

SMILES

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc12

InChIKey

UTSOLZWQDXJQRH-UHFFFAOYSA-N

InChI

InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)

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Names and synonyms

1 names

1-Piperazinecarboxylic acid, 4-[6-[(6-bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-, 1,1-dimethylethyl ester

Work with 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-carboxylate

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

Palbociclib571190-30-260 % similar 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1016636-76-249 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-740 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-435 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-534 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-232 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-332 % similar tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate877399-74-132 % similar

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

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