1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one

C133H119Cl6F6N35O13 — CID 159580467

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCC(C)(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.CC(C)n1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.CCn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.Cc1[nH]cnc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(F)c(Cl)c4)c(=O)c3)n2)cn1.Cn1cncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
InChIInChI=1S/C25H23ClFN5O3.C23H22ClFN6O2.C22H20ClFN6O2.3C21H18ClFN6O2/c1-25(2,35)22-13-17(5-8-28-22)30-24-29-9-6-20(31-24)15-7-10-32(23(34)12-15)21(14-33)16-3-4-18(26)19(27)11-16;1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16;1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15;1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-17(23)16(22)8-14;1-28-12-24-10-19(28)27-21-25-6-4-17(26-21)13-5-7-29(20(31)9-13)18(11-30)14-2-3-15(22)16(23)8-14;1-12-20(26-11-25-12)28-21-24-6-4-17(27-21)13-5-7-29(19(31)9-13)18(10-30)14-2-3-15(22)16(23)8-14/h3-13,21,33,35H,14H2,1-2H3,(H,28,29,30,31);3-12,14,21,32H,13H2,1-2H3,(H,26,28,29);3-12,20,31H,2,13H2,1H3,(H,25,27,28);2-11,19,30H,12H2,1H3,(H,24,26,27);2-10,12,18,30H,11H2,1H3,(H,25,26,27);2-9,11,18,30H,10H2,1H3,(H,25,26)(H,24,27,28)/t2*21-;20-;19-;2*18-/m111111/s1
InChIKeyMIYKGEIFYHURSW-NXTJMWPOSA-N
MW2742.35 g/mol
LogP21.65
Rot. Bonds39

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one (PubChem CID 159580467) has the molecular formula C133H119Cl6F6N35O13 and a molecular weight of 2742.35 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID159580467
Molecular FormulaC133H119Cl6F6N35O13
Molecular Weight2742.35 g/mol
Exact Mass2737.78
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCC(C)(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.CC(C)n1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.CCn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.Cc1[nH]cnc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(F)c(Cl)c4)c(=O)c3)n2)cn1.Cn1cncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
InChIInChI=1S/C25H23ClFN5O3.C23H22ClFN6O2.C22H20ClFN6O2.3C21H18ClFN6O2/c1-25(2,35)22-13-17(5-8-28-22)30-24-29-9-6-20(31-24)15-7-10-32(23(34)12-15)21(14-33)16-3-4-18(26)19(27)11-16;1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16;1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15;1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-17(23)16(22)8-14;1-28-12-24-10-19(28)27-21-25-6-4-17(26-21)13-5-7-29(20(31)9-13)18(11-30)14-2-3-15(22)16(23)8-14;1-12-20(26-11-25-12)28-21-24-6-4-17(27-21)13-5-7-29(19(31)9-13)18(10-30)14-2-3-15(22)16(23)8-14/h3-13,21,33,35H,14H2,1-2H3,(H,28,29,30,31);3-12,14,21,32H,13H2,1-2H3,(H,26,28,29);3-12,20,31H,2,13H2,1H3,(H,25,27,28);2-11,19,30H,12H2,1H3,(H,24,26,27);2-10,12,18,30H,11H2,1H3,(H,25,26,27);2-9,11,18,30H,10H2,1H3,(H,25,26)(H,24,27,28)/t2*21-;20-;19-;2*18-/m111111/s1
InChIKeyMIYKGEIFYHURSW-NXTJMWPOSA-N
XLogP21.65
TPSA613.32 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds39
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.35
LogP ≤ 521.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one with MolForge

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Related Compounds

1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-[[6-[1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[[1-[[6-[1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]methyl]pyrazol-4-yl]amino]pyrimidin-4-yl]methyl]-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 123637974
1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
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-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-cyclopropyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158670830
[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 159330188
CID 159933574
CID 159933574
N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 161095109
[6-[6-[[(1R)-1-(2-chloro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(1R)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-methyl-1-(4-methylphenyl)propan-2-ol;methane
CID 161740166
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 157075164
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-(methylamino)propan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157088138
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methyl-1,7-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,7-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 157241451
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)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;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyltriazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methyltriazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(5-fluoro-1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157310790
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(3-methylphenyl)-1,7-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 157318251

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one (CID 159580467) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one is CC(C)(O)c1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccn1.CC(C)n1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.CCn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1.Cc1[nH]cnc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(F)c(Cl)c4)c(=O)c3)n2)cn1.Cn1cncc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The InChIKey is MIYKGEIFYHURSW-NXTJMWPOSA-N. The full InChI is InChI=1S/C25H23ClFN5O3.C23H22ClFN6O2.C22H20ClFN6O2.3C21H18ClFN6O2/c1-25(2,35)22-13-17(5-8-28-22)30-24-29-9-6-20(31-24)15-7-10-32(23(34)12-15)21(14-33)16-3-4-18(26)19(27)11-16;1-14(2)31-12-17(11-27-31)28-23-26-7-5-20(29-23)15-6-8-30(22(33)10-15)21(13-32)16-3-4-18(24)19(25)9-16;1-2-29-12-16(11-26-29)27-22-25-7-5-19(28-22)14-6-8-30(21(32)10-14)20(13-31)15-3-4-17(23)18(24)9-15;1-28-11-15(10-25-28)26-21-24-6-4-18(27-21)13-5-7-29(20(31)9-13)19(12-30)14-2-3-17(23)16(22)8-14;1-28-12-24-10-19(28)27-21-25-6-4-17(26-21)13-5-7-29(20(31)9-13)18(11-30)14-2-3-15(22)16(23)8-14;1-12-20(26-11-25-12)28-21-24-6-4-17(27-21)13-5-7-29(19(31)9-13)18(10-30)14-2-3-15(22)16(23)8-14/h3-13,21,33,35H,14H2,1-2H3,(H,28,29,30,31);3-12,14,21,32H,13H2,1-2H3,(H,26,28,29);3-12,20,31H,2,13H2,1H3,(H,25,27,28);2-11,19,30H,12H2,1H3,(H,24,26,27);2-10,12,18,30H,11H2,1H3,(H,25,26,27);2-9,11,18,30H,10H2,1H3,(H,25,26)(H,24,27,28)/t2*21-;20-;19-;2*18-/m111111/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one has a molecular weight of 2742.35 g/mol, XLogP of 21.65, 39 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 159580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).