Palbociclib hydrochloride

C₂₄H₃₀ClN₇O₂CAS 827022-32-2484.00 g/mol

Open in Covalent MOL file

Ketone Secondary amine Tertiary amine

Properties

Molecular formula: C₂₄H₃₀ClN₇O₂
Molar mass: 484.00 g/mol
Exact mass: 483.2150 Da
logP: 3.39Crippen estimate
Polar surface area: 105.0 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 5

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

827022-32-2

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl

InChIKey

STEQOHNDWONVIF-UHFFFAOYSA-N

InChI

InChI=1S/C24H29N7O2.ClH/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);1H

Weigh it out

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

Names and synonyms

1 names

Pd 0332991 hcl

Work with Palbociclib hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Palbociclib571190-30-2Free base Palbociclib isethionate827022-33-3Salt

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-carboxylate571188-82-458 % similar 6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido(2,3-d)pyrimidin-7-one1016636-76-239 % similar Ribociclib1211441-98-338 % similar 1-(4-Acetylphenyl)piperazine51639-48-633 % similar 2-Chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one1013916-37-430 % similar

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

Elsewhere

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