AG0036BC

877399-52-5 | 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]pyridin-2-amine

AG0036BC

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CAS Number	877399-52-5
Catalog Number	AG0036BC(AGN-PC-0VGEJH)
Chemical Name	3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]pyridin-2-amine
IUPAC Name	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
InChI	InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
InChI Key	KTEIFNKAUNYNJU-GFCCVEGCSA-N
MDL Number	MFCD12407409
Molecular Formula	C21H22Cl2FN5O
Molecular Weight	450.3367
NSC Number	749005
SMILES	Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1
UNII	53AH36668S
Synonyms	crizotinib, PF 02341066, PF 2341066, PF-02341066, PF-2341066, PF02341066, PF2341066, xalkori, Crizotinib, 877399-52-5, Xalkori, (R)-crizotinib, PF-2341066, PF-02341066, PF 2341066, Crizotinib (PF-02341066), crizotinibum, PF 02341066, 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine, UNII-53AH36668S, (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, PF2341066, CHEMBL601719, Crizotinib (PF-2341066), CHEBI:64310, 53AH36668S, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine, 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine, 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE, PF 2341066;(R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, Xalkori (TN), C21H22Cl2FN5O, Crizotinib [USAN:INN], 3-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1h-pyrazol-4-yl)pyridin-2-amine, VGH, PubChem19322, SCHEMBL93829, PF-2341066,Crizotinib, Crizotinib (JAN/USAN/INN), PF-2341066(Crizotinib), GTPL4903, QCR-32, Crizotinib, >=98% (HPLC), PF-2341066 (Crizotinib), PF-2341066 - Crizotinib, CTK5F8952, AOB2688, EX-A096, SYN1139, KTEIFNKAUNYNJU-GFCCVEGCSA-N, PF-02341066 (Crizotinib), BCPP000116, AMX10152, ABP000131, ANW-47749, BDBM50306682, MFCD12407409, NSC749005, ZINC35902489, AKOS015901233, AKOS015995207, DB08865, GS-6178, KIN0000318, NSC-749005, PB11015, RL05464, KS-0000075X, NCGC00250400-01, NCGC00250400-09, NCGC00250400-12, 2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-, BC622990, EN002685, HY-50878, SC-48062, AB0027203, TX-017903, BB 0261738, FT-0665224, SW202555-3, W9013, D09731, Q-3209, 399P525, J-510370, BRD-K78431006-001-01-1, BRD-K78431006-001-03-7, I14-14837, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[, 877399-52-5, 877399-53-6 (acetate), (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-am ine, (R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, 3-(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy-5-1-(4-piperidinyl)-1H-pyrazol-4-yl-2-Pyridinamine, 3-[(R)-1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, Crizotinib [USAN], novel ALK inhibitors, D03ZBT, cc-190, 2-Fluoro-3-iodophenylboronic acid, Crizotinib, 98% - 10MG 10mg, ACN-031532, CS-0029, CS-O-01256, CID11626560, A3020, PF02341066, S1068, A10712, C520390, C551994, D000077547, 3-(2,6-dichloro-3-fluorobenzyloxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2-PYRIDINAMINE, 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]-, 3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, 3-[1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-(4-piperidyl)pyrazol-4-yl]pyridin-2-amine, 877399-53-6,

Complexity	558
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	449.119g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	450.339g/mol
Monoisotopic Mass	449.119g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317-H319-H341-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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