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Palbociclib

CAS: 571190-30-2
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571190-30-2

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1 Palbociclib
2 Ibrance
3 PD-0332991
4 PD0332991
5 PD 0332991

Palbociclib is a member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of cyclopentanes, a member of piperidines, an aminopyridine, a pyridopyrimidine, a secondary amino compound, a tertiary amino compound and an aromatic ketone.

Molecular Formula C24H29N7O2
Canonical SMILES
Isomeric SMILES
Molecular Weight 447.5000
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)
XLogP 1.8000
ExactMass 447.2383
MonoisotopicMass 447.2383
TPSA 103.0000
Complexity 775.0000
Charge 0.0000
HBondDonorCount 2
HBondAcceptorCount 8
RotatableBondCount 5
HeavyAtomCount 33
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 19144
PatentFamilyCount 6167
LiteratureCount 4727