Palbociclib

Catalog Number	ACM571190302
CAS	571190-30-2
Structure
IUPAC Name	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Synonyms	Palbociclib;571190-30-2;PD0332991;Ibrance;PD-0332991;PD 0332991;UNII-G9ZF61LE7G;Palbociclib free base;Palbociclib-d8;6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one;PD-332991;571190-30-2 (free base);MFCD11840850;6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE;6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one;G9ZF61LE7G;Palbociclib(PD0332991);PD 332991;6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one;CHEBI:85993;[d8]-Palbociclib;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one;LQQ;C24H29N7O2;2euf;1628752-83-9;571190-30-2 pound not827022-32-2;Palbociclib [USAN:INN];Ibrance (TN);Kinome_3823;Kinome_3824;PubChem16671;6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride;Palbociclib (JAN/USAN);SCHEMBL462630;BDBM6309;CHEMBL189963;GTPL7380;DTXSID40972590;EX-A408;QCR-200;OTAVA-BB 1115529;BCPP000125;HMS3265M09;HMS3265M10;HMS3265N09;HMS3265N10;HMS3744G13;AMY14886;AOB87334;BCP09274;BCP18381;EBD24067;ZINC3938686;ABP000842;NSC758247;NSC772256;NSC800815;AKOS022205241;BCP9001058;CA10003;DB09073;NSC-758247;NSC-772256;NSC-800815;SB40426;Pyrido-[2,3-d]-pyrimidin-7-one 43;NCGC00263129-01;NCGC00263129-08;NCGC00263129-21;NCGC00263129-22;AC-25485;AK173631;AS-17016;HY-50767;SY026143;PD-033299;FT-0697059;X7379;A14427;D10372;Z-3143;190P302;PD 0332991,PD0332991;PD-0332991, PD0332991;BRD-K51313569-001-01-1;P-0332991;Q15269707;PD-0332991/PD0332991,PD332991;6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino] pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one;6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one;6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one;Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-
Molecular Weight	447.5g/mol
Molecular Formula	C24H29N7O2
Canonical SMILES	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
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)
InChI Key	AHJRHEGDXFFMBM-UHFFFAOYSA-N
Melting Point	263-266 ºC
Purity	99.94%
Complexity	775
Covalently-Bonded Unit Count	1
Exact Mass	447.23827319g/mol
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Monoisotopic Mass	447.23827319g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	103Å²
UNII	G9ZF61LE7G
X Log P3	1.8

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