| 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 |