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| CAS No.: | 827022-32-2 |
|---|---|
| Name: | PD 0332991 HCl |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C24H29N7O2.HCl |
| Molecular Weight: | 484.001 |
| Synonyms: | Palbociclib HCl |
| EINECS: | 1592732-453-0 |
| Boiling Point: | 727 °C at 760 mmHg |
| Flash Point: | 393.5 °C |
| PSA: | 105.04000 |
| LogP: | 4.23460 |
- 82702-31-6Benzoicacid, 3-bromo-4-fluoro-, methyl ester
- 827025-41-2Benzoicacid, 3-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]-
- 827026-45-92,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-
- 827027-25-8CHOLINE BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
- 827032-78-01,1-Cyclobutanedicarboxylicacid, 3-bromo-
- 827-08-71,2-Dibromotetrafluorobenzene
- 82711-99-73-Fluoro-6-nitrobenzenesulfonic acid
- 827-15-6Benzene,1,2,3,4,5-pentafluoro-6-iodo-
- 82717-96-2Benzenebutanoic acid, a-[[(1S)-1-carboxyethyl]amino]-,1-ethyl ester, (aS)-
- 827-20-3Benzenamine,5-fluoro-2-(trifluoromethyl)-
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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