AG00392L

1341224-83-6 | N-[2-[(3S)-3-[[4-Hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

AG00392L

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CAS Number	1341224-83-6
Catalog Number	AG00392L(AGN-PC-0WNYO9)
Chemical Name	N-[2-[(3S)-3-[[4-Hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
IUPAC Name	N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
InChI	InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1
InChI Key	ZNSVOHSYDRPBGI-CBQRAPNFSA-N
MDL Number	MFCD22419015
Molecular Formula	C29H31F3N6O3
Molecular Weight	568.5900
SMILES	OC1(CCC(CC1)N[C@@H]1CN(CC1)C(CNC(C1=CC(=CC=C1)C(F)(F)F)=O)=O)C1=NC=C(C=C1)C1=NC=CC=N1
Synonyms	PF-04136309, PF-4136309, 1341224-83-6, INCB-8761, INCB8761, INCB 8761, INCB8761(PF-4136309), 857679-55-1, PF4136309, CHEMBL2029422, PF 4136309, N-[2-((3S)-3-{[4-Hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino}pyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide, N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide, INCB8761 PF-4136309, INCB8761/PF-4136309, GTPL9032, SCHEMBL1377713, ZNSVOHSYDRPBGI-CBQRAPNFSA-N, BCP03515, BCP29071, CS-M3082, EX-A2696, 3969AH, BDBM50382932, AKOS030526422, AKOS032947245, ZINC101506781, ZINC253387968, BCP9000786, CS-0610, RL05310, SB17393, KS-00001D49, compound 17 [PMID: 24900280], NCGC00390572-01, 4CA-0999, AC-30237, HY-13245, BCP0726000196, PF04136309, INCB8761 - PF-4136309, PF-04136309, W-5868, pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)-, J-523917, (S)-N-(2-(3-((4-Hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide????????, Benzamide, N-[2-[(3S)-3-[[trans-4-hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl]amino]-1-, N-(2-((3S)-3-((4-Hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamid e, N-(2-((S)-3-(((1r,4S)-4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide, N-[2-((3S)-3-{[4-Hydroxy-4-(5-pyrimidin-2-yipyridin-2-yl)cyclohexyl]amino}pyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide, N-[2-[(3S)-3-[[4-Hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide, pf-4136309; n-(2-((3s)-3-((4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide, D06EPO, cc-296, C29H31F3N6O3, CID11192346, CID 11192346,

Complexity	894
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	568.241g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	568.601g/mol
Monoisotopic Mass	568.241g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

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