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C24H29N7O2CAS 571190-30-2447.54 g/mol

Open in Covalent MOL file
ONNHNNHNNNO
KetoneSecondary amineTertiary amine

Properties

Molecular formula
C24H29N7O2
Molar mass
447.54 g/mol
Exact mass
447.2383 Da
Melting point
200 °C
logP
2.97Crippen estimate
Polar surface area
105.0 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
5

Identifiers

CAS number
571190-30-2
SMILES
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIKey
AHJRHEGDXFFMBM-UHFFFAOYSA-N
InChI
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
  • 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one
  • 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
  • PD 0332991
  • PD 332991
  • 6-Acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)pyrido[2,3-d]pyridin-7(8H)-one
  • Ibrance
  • PD 991
  • Palbocyclib

Work with Palbociclib

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

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-carboxylate571188-82-460 % similar 6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1016636-76-240 % similar Ribociclib1211441-98-339 % similar 1-(4-Acetylphenyl)piperazine51639-48-634 % similar 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-D]pyrimidin-7(8H)-one1013916-37-431 % similar

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

Elsewhere

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