AG003AC4

1211441-98-3 | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

AG003AC4

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CAS Number	1211441-98-3
Catalog Number	AG003AC4(AGN-PC-0WAMDE)
Chemical Name	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
EC Number	807-111-0
IUPAC Name	7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
InChI	InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChI Key	RHXHGRAEPCAFML-UHFFFAOYSA-N
MDL Number	MFCD27976795
Molecular Formula	C23H30N8O
Molecular Weight	434.5373
SMILES	C1(CCCC1)N1C(=CC2=C1N=C(N=C2)NC2=NC=C(C=C2)N2CCNCC2)C(=O)N(C)C
UNII	TK8ERE8P56
Synonyms	LEE011, ribociclib, Ribociclib, LEE011, 1211441-98-3, LEE-011, Kisqali, UNII-TK8ERE8P56, LEE 011, Ribociclib(LEE011), Ribociclib (LEE011), 7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, TK8ERE8P56, AK174906, 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo [2,3-d]pyrimidine-6-carboxylic acid dimethylamide, 7-Cyclopentyl-N,N-dimethyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Ribociclib [USAN:INN], LEE011A, Ribociclib, LEE011, Tube013, Ribociclib (USAN/INN), NVP-LEE011, SCHEMBL302310, GTPL7383, CHEMBL3545110, EX-A304, SYN1213, RHXHGRAEPCAFML-UHFFFAOYSA-N, BDBM148264, HMS3653N03, example 74 [US8962630], AOB87725, BCP08804, 2513AH, MFCD27976795, s7440, ZINC72316335, AKOS025404915, AKOS032949987, ACN-040728, CS-1750, DB11730, SB18480, KS-0000068T, NCGC00386317-10, AC-30029, AS-10159, BC600363, HY-15777, AX8322700, FT-0700117, SW220101-1, D10883, US8962630, 74, J-690066, 6-(1H-Indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-Imidazo[1,2-a]pyrazin-8-amine, 6ZZ, 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide, 7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide, 7-Cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Ribociclib [INN], Ribociclib succinate, D08MXP, LEE011-BBA, C23H30N8O, A8641, A13549, C000589651, 1256963-02-6,

Complexity	636
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	434.254g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	434.548g/mol
Monoisotopic Mass	434.254g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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