1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

C138H111Cl4F8N31O16 — CID 158169407

IUPAC1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESC=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CCO)n2)cc1=O.COC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4cccc(F)c4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3cccc(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1
InChIInChI=1S/C24H19ClFN5O4.C23H17ClFN5O4.C23H19ClFN5O2.2C23H19F2N5O2.C22H18ClFN6O2/c1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15;1-14-11-26-7-5-19(14)28-23-27-12-18(25)22(29-23)16-6-8-30(21(32)10-16)20(13-31)15-3-2-4-17(24)9-15;1-14-9-18(5-7-26-14)28-23-27-12-19(25)22(29-23)16-6-8-30(21(32)11-16)20(13-31)15-3-2-4-17(24)10-15;1-14(15-2-3-17(23)18(24)12-15)29-9-6-16(13-21(29)32)19-4-7-25-22(27-19)28-20-5-8-26-30(20)10-11-31/h2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);3*2-12,20,31H,13H2,1H3,(H,26,27,28,29);2-9,12-13,31H,1,10-11H2,(H,25,27,28)/t21-;4*20-;/m11111./s1
InChIKeyFXGMZUAKPQVHIA-UHEXZVKESA-N
MW2753.40 g/mol
LogP22.02
Rot. Bonds39

About 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate

1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (PubChem CID 158169407) has the molecular formula C138H111Cl4F8N31O16 and a molecular weight of 2753.40 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
PubChem CID158169407
Molecular FormulaC138H111Cl4F8N31O16
Molecular Weight2753.40 g/mol
Exact Mass2749.75
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
SMILESC=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CCO)n2)cc1=O.COC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4cccc(F)c4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3cccc(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1
InChIInChI=1S/C24H19ClFN5O4.C23H17ClFN5O4.C23H19ClFN5O2.2C23H19F2N5O2.C22H18ClFN6O2/c1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15;1-14-11-26-7-5-19(14)28-23-27-12-18(25)22(29-23)16-6-8-30(21(32)10-16)20(13-31)15-3-2-4-17(24)9-15;1-14-9-18(5-7-26-14)28-23-27-12-19(25)22(29-23)16-6-8-30(21(32)11-16)20(13-31)15-3-2-4-17(24)10-15;1-14(15-2-3-17(23)18(24)12-15)29-9-6-16(13-21(29)32)19-4-7-25-22(27-19)28-20-5-8-26-30(20)10-11-31/h2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);3*2-12,20,31H,13H2,1H3,(H,26,27,28,29);2-9,12-13,31H,1,10-11H2,(H,25,27,28)/t21-;4*20-;/m11111./s1
InChIKeyFXGMZUAKPQVHIA-UHEXZVKESA-N
XLogP22.02
TPSA626.11 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.40
LogP ≤ 522.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Analyze 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(3-Chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylic acid;methyl 4-[2-(3-chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-2-carboxylate
CID 157201197
(3-methoxycarbonylphenyl)boronic acid;methyl 3-morpholin-4-ylbenzoate;morpholine;3-morpholin-4-ylbenzoic acid;3-morpholin-4-ylbenzoyl chloride;3-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
CID 161029294
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2-oxo-1-pyridinyl]ethyl]benzonitrile
CID 157506411
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 159415850
[1-[4-(Aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]pyrazol-3-yl]methanol;ethyl 1-(6-chloro-4-isocyano-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1-[6-(4-fluoroanilino)-4-isocyano-2-pyridinyl]pyrazole-3-carboxylate;4-fluoroaniline;4-[2-(4-fluoroanilino)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one;4-[2-(4-fluoroanilino)-6-[3-(hydroxymethyl)pyrazol-1-yl]-4-pyridinyl]butan-2-one
CID 159845909
6-(6-chloro-3-pyridinyl)pyrimidine-4-carboxylic acid;6-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid;6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxylic acid;6-(1H-pyrazol-4-yl)pyrimidine-4-carboxylic acid;6-pyridin-3-ylpyrimidine-4-carboxylic acid;6-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 159953067
1-(3H-benzimidazol-5-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(4-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 160437441
2,4-dichloro-5-methylpyrimidine;1,4-dioxane;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methyl 2-[[(3R)-7-(2-chloro-5-methylpyrimidin-4-yl)-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;methyl 4-fluoro-2-[[(3R)-3-(methoxymethyl)-1-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate;2-methylpyrazol-3-amine
CID 160951834
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[6-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[6-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 161003718
Magnesium;(6-chloro-4-morpholin-4-yl-2-pyridinyl)-(4-fluorophenyl)methanone;4,6-dichloropyridine-2-carboxylic acid;(4,6-dichloro-2-pyridinyl)-(4-fluorophenyl)methanone;ethyl 4,6-dichloropyridine-2-carboxylate;fluorobenzene;(4-fluorophenyl)-[6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2-pyridinyl]methanone;morpholine;bromide
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1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-4-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 161586185
2-(aminomethyl)-3H-pyridin-4-one;[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid;6-[4-fluoro-3-(hydroxymethyl)phenyl]pyrimidine-4-carboxylic acid;2-[3-[6-[4-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-4-yl]-3-oxopropyl]-3-methylpyrimidin-4-one;2-[3-[6-[4-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-4-yl]-3-oxopropyl]-1H-pyrimidin-6-one;methyl 6-chloropyrimidine-4-carboxylate;methyl 6-[4-fluoro-3-(hydroxymethyl)phenyl]pyrimidine-4-carboxylate
CID 163835339

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate (CID 158169407) is 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is C=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CCO)n2)cc1=O.COC(=O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4ccc(Cl)cc4)c(=O)c3)n2)ccn1.Cc1cc(Nc2ncc(F)c(-c3ccn([C@H](CO)c4cccc(F)c4)c(=O)c3)n2)ccn1.Cc1cnccc1Nc1ncc(F)c(-c2ccn([C@H](CO)c3cccc(F)c3)c(=O)c2)n1.O=C(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
The InChIKey is FXGMZUAKPQVHIA-UHEXZVKESA-N. The full InChI is InChI=1S/C24H19ClFN5O4.C23H17ClFN5O4.C23H19ClFN5O2.2C23H19F2N5O2.C22H18ClFN6O2/c1-35-23(34)20-12-16(4-7-27-20)29-24-28-8-5-19(30-24)14-6-9-31(22(33)11-14)21(13-32)15-2-3-17(25)18(26)10-15;24-16-2-1-14(9-17(16)25)20(12-31)30-8-5-13(10-21(30)32)18-4-7-27-23(29-18)28-15-3-6-26-19(11-15)22(33)34;1-14-10-18(6-8-26-14)28-23-27-12-19(25)22(29-23)16-7-9-30(21(32)11-16)20(13-31)15-2-4-17(24)5-3-15;1-14-11-26-7-5-19(14)28-23-27-12-18(25)22(29-23)16-6-8-30(21(32)10-16)20(13-31)15-3-2-4-17(24)9-15;1-14-9-18(5-7-26-14)28-23-27-12-19(25)22(29-23)16-6-8-30(21(32)11-16)20(13-31)15-3-2-4-17(24)10-15;1-14(15-2-3-17(23)18(24)12-15)29-9-6-16(13-21(29)32)19-4-7-25-22(27-19)28-20-5-8-26-30(20)10-11-31/h2-12,21,32H,13H2,1H3,(H,27,28,29,30);1-11,20,31H,12H2,(H,33,34)(H,26,27,28,29);3*2-12,20,31H,13H2,1H3,(H,26,27,28,29);2-9,12-13,31H,1,10-11H2,(H,25,27,28)/t21-;4*20-;/m11111./s1.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate?
1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 2753.40 g/mol, XLogP of 22.02, 39 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylic acid;1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;methyl 4-[[4-[1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]pyrimidin-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 158169407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).