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

C155H164Cl5F6N31O21 — CID 161003718

IUPAC1-[(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
SMILESCc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1
InChIInChI=1S/3C23H24ClFN4O3.C22H22ClFN4O3.C22H22F2N4O3.C21H22ClN5O3.C21H26N6O3/c24-18-2-1-16(13-19(18)25)21(5-10-30)29-9-4-15(14-22(29)31)20-3-8-26-23(28-20)27-17-6-11-32-12-7-17;2*24-18-2-1-16(11-19(18)25)21(4-8-30)29-7-3-15(12-23(29)31)20-13-22(27-14-26-20)28-17-5-9-32-10-6-17;23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);2*1-3,7,11-14,17,21,30H,4-6,8-10H2,(H,26,27,28);1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t3*21-;2*20-;2*19-/m0111111/s1
InChIKeyTWFOYWYFLZLVKL-DQRMUESGSA-N
MW3088.47 g/mol
LogP21.05
Rot. Bonds45

About 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

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 (PubChem CID 161003718) has the molecular formula C155H164Cl5F6N31O21 and a molecular weight of 3088.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID161003718
Molecular FormulaC155H164Cl5F6N31O21
Molecular Weight3088.47 g/mol
Exact Mass3084.11
IUPAC Name1-[(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
SMILESCc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1
InChIInChI=1S/3C23H24ClFN4O3.C22H22ClFN4O3.C22H22F2N4O3.C21H22ClN5O3.C21H26N6O3/c24-18-2-1-16(13-19(18)25)21(5-10-30)29-9-4-15(14-22(29)31)20-3-8-26-23(28-20)27-17-6-11-32-12-7-17;2*24-18-2-1-16(11-19(18)25)21(4-8-30)29-7-3-15(12-23(29)31)20-13-22(27-14-26-20)28-17-5-9-32-10-6-17;23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);2*1-3,7,11-14,17,21,30H,4-6,8-10H2,(H,26,27,28);1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t3*21-;2*20-;2*19-/m0111111/s1
InChIKeyTWFOYWYFLZLVKL-DQRMUESGSA-N
XLogP21.05
TPSA655.60 Ų
H-Bond Donors14
H-Bond Acceptors52
Rotatable Bonds45
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003088.47
LogP ≤ 521.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1052

Analyze 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 with MolForge

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Launch Full Analysis

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-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157197270
4-[2-(2-chloro-4-fluoroanilino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[2-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropylpyrimidin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethylpyrimidin-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158585827
1-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;3-[2-hydroxy-1-[4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2-oxo-1-pyridinyl]ethyl]benzonitrile;1-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158695208
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
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
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-[(2,3-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]pyridin-2-one;1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[fluoro(1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]pyridin-2-one
CID 157597025
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;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,3-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(1S,3S)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]pyridin-2-one;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
CID 157646470
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,4-dimethylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethyl-5-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(2R)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 157752525
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(1,3-difluoropropan-2-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-chlorophenyl)propyl]-4-[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157766122
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3R,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157808075

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc([C@@H](CO)n2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)n(C)n1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2cc(NC3CCOCC3)ncn2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cncc(Cl)c1.
What is the InChIKey of 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?
The InChIKey is TWFOYWYFLZLVKL-DQRMUESGSA-N. The full InChI is InChI=1S/3C23H24ClFN4O3.C22H22ClFN4O3.C22H22F2N4O3.C21H22ClN5O3.C21H26N6O3/c24-18-2-1-16(13-19(18)25)21(5-10-30)29-9-4-15(14-22(29)31)20-3-8-26-23(28-20)27-17-6-11-32-12-7-17;2*24-18-2-1-16(11-19(18)25)21(4-8-30)29-7-3-15(12-23(29)31)20-13-22(27-14-26-20)28-17-5-9-32-10-6-17;23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16;23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18;22-16-9-15(11-23-12-16)19(13-28)27-6-2-14(10-20(27)29)18-1-5-24-21(26-18)25-17-3-7-30-8-4-17;1-14-11-18(26(2)25-14)19(13-28)27-8-4-15(12-20(27)29)17-3-7-22-21(24-17)23-16-5-9-30-10-6-16/h1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);2*1-3,7,11-14,17,21,30H,4-6,8-10H2,(H,26,27,28);1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27);1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27);1-2,5-6,9-12,17,19,28H,3-4,7-8,13H2,(H,24,25,26);3-4,7-8,11-12,16,19,28H,5-6,9-10,13H2,1-2H3,(H,22,23,24)/t3*21-;2*20-;2*19-/m0111111/s1.
What are the key properties of 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?
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 has a molecular weight of 3088.47 g/mol, XLogP of 21.05, 45 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161003718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).