6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride supplier

Name
PD 0332991 HCl
EINECS 1592732-453-0
CAS No. 827022-32-2
Article Data8
CAS DataBase
Density
Solubility
Melting Point
Formula C₂₄H₂₉N₇O₂^.HCl
Boiling Point 727 °C at 760 mmHg
Molecular Weight 484.001
Flash Point 393.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Palbociclib HCl
PSA 105.04000
LogP 4.23460

6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride Specification

The 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride, with the CAS registry number 827022-32-2, is also known as Pyrido[2,3-d]pyrimidin-7(8H)-one,6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-, monohydrochloride. This chemical's molecular formula is C₂₄H₂₉N₇O₂^.HCl and molecular weight is 484.00. What's more, its systematic name is 6-Acetyl-8-cyclopentyl-5-methyl-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride (1:1).

Physical properties of 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride are: (1)ACD/LogP: 0.987; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 85.77 Å²; (7)Flash Point: 393.5 °C; (8)Enthalpy of Vaporization: 108.03 kJ/mol; (9)Boiling Point: 727 °C at 760 mmHg; (10)Vapour Pressure: 2.05E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C2N(c1nc(ncc1/C(=C2/C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5
(2)Std. 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
(3)Std. InChIKey: STEQOHNDWONVIF-UHFFFAOYSA-N

Product Name

PD 0332991 HCl

6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride Specification

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