1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one

C153H153Cl5F9N29O19 — CID 161167081

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCC(c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.O=c1cc(-c2ccnc(NC3CC(F)(F)C3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](c1ccc(Cl)c(F)c1)[C@H]1CCNC1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(OC(F)F)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccccc1Cl.O=c1cc(-c2ccnc(NC3COC3)n2)ccn1[C@H](CO)c1ccc(F)c(F)c1.O=c1cc(-c2ccnc(N[C@H]3CCOC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H27ClFN5O2.C23H24F2N4O4.C22H23ClN4O3.C21H18ClF3N4O2.C21H20ClFN4O3.C21H23ClN4O2.C20H18F2N4O3/c26-20-2-1-17(13-21(20)27)24(18-3-8-28-15-18)32-10-5-16(14-23(32)33)22-4-9-29-25(31-22)30-19-6-11-34-12-7-19;24-22(25)33-18-3-1-15(2-4-18)20(14-30)29-10-6-16(13-21(29)31)19-5-9-26-23(28-19)27-17-7-11-32-12-8-17;23-18-4-2-1-3-17(18)20(14-28)27-10-6-15(13-21(27)29)19-5-9-24-22(26-19)25-16-7-11-30-12-8-16;22-15-2-1-13(7-16(15)23)18(11-30)29-6-4-12(8-19(29)31)17-3-5-26-20(28-17)27-14-9-21(24,25)10-14;22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-30-12-15;1-3-19(16-5-4-6-17(22)11-16)26-10-8-15(12-20(26)28)18-7-9-23-21(25-18)24-14(2)13-27;21-15-2-1-13(7-16(15)22)18(9-27)26-6-4-12(8-19(26)28)17-3-5-23-20(25-17)24-14-10-29-11-14/h1-2,4-5,9-10,13-14,18-19,24,28H,3,6-8,11-12,15H2,(H,29,30,31);1-6,9-10,13,17,20,22,30H,7-8,11-12,14H2,(H,26,27,28);1-6,9-10,13,16,20,28H,7-8,11-12,14H2,(H,24,25,26);1-8,14,18,30H,9-11H2,(H,26,27,28);1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26);4-12,14,19,27H,3,13H2,1-2H3,(H,23,24,25);1-8,14,18,27H,9-11H2,(H,23,24,25)/t18-,24-;2*20-;18-;15-,19+;14-,19?;18-/m0111001/s1
InChIKeyUQRLDGAIHBBHJE-NHJKWVRLSA-N
MW3050.34 g/mol
LogP22.59
Rot. Bonds45

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 161167081) has the molecular formula C153H153Cl5F9N29O19 and a molecular weight of 3050.34 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID161167081
Molecular FormulaC153H153Cl5F9N29O19
Molecular Weight3050.34 g/mol
Exact Mass3046.02
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCC(c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.O=c1cc(-c2ccnc(NC3CC(F)(F)C3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](c1ccc(Cl)c(F)c1)[C@H]1CCNC1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(OC(F)F)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccccc1Cl.O=c1cc(-c2ccnc(NC3COC3)n2)ccn1[C@H](CO)c1ccc(F)c(F)c1.O=c1cc(-c2ccnc(N[C@H]3CCOC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H27ClFN5O2.C23H24F2N4O4.C22H23ClN4O3.C21H18ClF3N4O2.C21H20ClFN4O3.C21H23ClN4O2.C20H18F2N4O3/c26-20-2-1-17(13-21(20)27)24(18-3-8-28-15-18)32-10-5-16(14-23(32)33)22-4-9-29-25(31-22)30-19-6-11-34-12-7-19;24-22(25)33-18-3-1-15(2-4-18)20(14-30)29-10-6-16(13-21(29)31)19-5-9-26-23(28-19)27-17-7-11-32-12-8-17;23-18-4-2-1-3-17(18)20(14-28)27-10-6-15(13-21(27)29)19-5-9-24-22(26-19)25-16-7-11-30-12-8-16;22-15-2-1-13(7-16(15)23)18(11-30)29-6-4-12(8-19(29)31)17-3-5-26-20(28-17)27-14-9-21(24,25)10-14;22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-30-12-15;1-3-19(16-5-4-6-17(22)11-16)26-10-8-15(12-20(26)28)18-7-9-23-21(25-18)24-14(2)13-27;21-15-2-1-13(7-16(15)22)18(9-27)26-6-4-12(8-19(26)28)17-3-5-23-20(25-17)24-14-10-29-11-14/h1-2,4-5,9-10,13-14,18-19,24,28H,3,6-8,11-12,15H2,(H,29,30,31);1-6,9-10,13,17,20,22,30H,7-8,11-12,14H2,(H,26,27,28);1-6,9-10,13,16,20,28H,7-8,11-12,14H2,(H,24,25,26);1-8,14,18,30H,9-11H2,(H,26,27,28);1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26);4-12,14,19,27H,3,13H2,1-2H3,(H,23,24,25);1-8,14,18,27H,9-11H2,(H,23,24,25)/t18-,24-;2*20-;18-;15-,19+;14-,19?;18-/m0111001/s1
InChIKeyUQRLDGAIHBBHJE-NHJKWVRLSA-N
XLogP22.59
TPSA607.46 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003050.34
LogP ≤ 522.59
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(piperidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-inden-5-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-inden-5-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 157186610
4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-inden-5-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 157342880
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,3-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157574244
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,3-dimethyl-5-propan-2-ylbenzamide;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-5-propan-2-ylpyridine;methane;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;tris(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157770357
1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(piperidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-chlorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-inden-5-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 157968577
4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-methyl-1H-inden-5-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 158025732
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-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chlorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)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 158485136
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-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 159306394
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-chlorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 160979259
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-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-chlorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(4-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 162031824
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3R)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chlorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)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
CID 157293718
1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(S)-(3-fluoro-4-methoxyphenyl)-[(2R)-pyrrolidin-2-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-(2-hydroxy-1-phenylethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-(1-phenylethyl)pyridin-2-one
CID 157381483

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 161167081) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one is CCC(c1cccc(Cl)c1)n1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1=O.O=c1cc(-c2ccnc(NC3CC(F)(F)C3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](c1ccc(Cl)c(F)c1)[C@H]1CCNC1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(OC(F)F)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccccc1Cl.O=c1cc(-c2ccnc(NC3COC3)n2)ccn1[C@H](CO)c1ccc(F)c(F)c1.O=c1cc(-c2ccnc(N[C@H]3CCOC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is UQRLDGAIHBBHJE-NHJKWVRLSA-N. The full InChI is InChI=1S/C25H27ClFN5O2.C23H24F2N4O4.C22H23ClN4O3.C21H18ClF3N4O2.C21H20ClFN4O3.C21H23ClN4O2.C20H18F2N4O3/c26-20-2-1-17(13-21(20)27)24(18-3-8-28-15-18)32-10-5-16(14-23(32)33)22-4-9-29-25(31-22)30-19-6-11-34-12-7-19;24-22(25)33-18-3-1-15(2-4-18)20(14-30)29-10-6-16(13-21(29)31)19-5-9-26-23(28-19)27-17-7-11-32-12-8-17;23-18-4-2-1-3-17(18)20(14-28)27-10-6-15(13-21(27)29)19-5-9-24-22(26-19)25-16-7-11-30-12-8-16;22-15-2-1-13(7-16(15)23)18(11-30)29-6-4-12(8-19(29)31)17-3-5-26-20(28-17)27-14-9-21(24,25)10-14;22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-30-12-15;1-3-19(16-5-4-6-17(22)11-16)26-10-8-15(12-20(26)28)18-7-9-23-21(25-18)24-14(2)13-27;21-15-2-1-13(7-16(15)22)18(9-27)26-6-4-12(8-19(26)28)17-3-5-23-20(25-17)24-14-10-29-11-14/h1-2,4-5,9-10,13-14,18-19,24,28H,3,6-8,11-12,15H2,(H,29,30,31);1-6,9-10,13,17,20,22,30H,7-8,11-12,14H2,(H,26,27,28);1-6,9-10,13,16,20,28H,7-8,11-12,14H2,(H,24,25,26);1-8,14,18,30H,9-11H2,(H,26,27,28);1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26);4-12,14,19,27H,3,13H2,1-2H3,(H,23,24,25);1-8,14,18,27H,9-11H2,(H,23,24,25)/t18-,24-;2*20-;18-;15-,19+;14-,19?;18-/m0111001/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3050.34 g/mol, XLogP of 22.59, 45 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,3-difluorocyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(3S)-oxolan-3-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(R)-(4-chloro-3-fluorophenyl)-[(3S)-pyrrolidin-3-yl]methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(2-chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-chlorophenyl)propyl]-4-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3,4-difluorophenyl)-2-hydroxyethyl]-4-[2-(oxetan-3-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 161167081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).