4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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

C157H159Cl4F4N31O15 — CID 159210091

IUPAC4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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
SMILESCOc1cccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)c1.Cc1ccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)cc1.Cc1nc(Nc2nccc(-c3ccn(C(CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccc1F.O=c1cc(-c2ccnc(NC3CCCNC3)n2)ccn1C(CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)C=CC2.O=c1cc(-c2ccnc(NC3CNC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H24N4O2.C23H18ClF2N5O2.C23H26N4O3.C23H26N4O2.C22H23ClFN5O2.C22H23ClN4O2.C20H19ClFN5O2/c29-23-15-20(22-6-10-25-24(27-22)26-21-8-12-30-13-9-21)7-11-28(23)16-17-4-5-18-2-1-3-19(18)14-17;1-13-17(25)4-5-21(28-13)30-23-27-8-6-19(29-23)14-7-9-31(22(33)11-14)20(12-32)15-2-3-16(24)18(26)10-15;1-29-20-4-2-3-17(15-20)6-11-27-12-7-18(16-22(27)28)21-5-10-24-23(26-21)25-19-8-13-30-14-9-19;1-17-2-4-18(5-3-17)7-12-27-13-8-19(16-22(27)28)21-6-11-24-23(26-21)25-20-9-14-29-15-10-20;23-17-4-3-15(10-18(17)24)20(13-30)29-9-6-14(11-21(29)31)19-5-8-26-22(28-19)27-16-2-1-7-25-12-16;23-18-3-1-16(2-4-18)6-11-27-12-7-17(15-21(27)28)20-5-10-24-22(26-20)25-19-8-13-29-14-9-19;21-15-2-1-13(7-16(15)22)18(11-28)27-6-4-12(8-19(27)29)17-3-5-24-20(26-17)25-14-9-23-10-14/h1,3-7,10-11,14-15,21H,2,8-9,12-13,16H2,(H,25,26,27);2-11,20,32H,12H2,1H3,(H,27,28,29,30);2-5,7,10,12,15-16,19H,6,8-9,11,13-14H2,1H3,(H,24,25,26);2-6,8,11,13,16,20H,7,9-10,12,14-15H2,1H3,(H,24,25,26);3-6,8-11,16,20,25,30H,1-2,7,12-13H2,(H,26,27,28);1-5,7,10,12,15,19H,6,8-9,11,13-14H2,(H,24,25,26);1-8,14,18,23,28H,9-11H2,(H,24,25,26)/t;;;;;;18-/m......1/s1
InChIKeyKQJRMTKUKVRYTG-UQTKDWPTSA-N
MW2938.00 g/mol
LogP23.07
Rot. Bonds42

About 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 (PubChem CID 159210091) has the molecular formula C157H159Cl4F4N31O15 and a molecular weight of 2938.00 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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
PubChem CID159210091
Molecular FormulaC157H159Cl4F4N31O15
Molecular Weight2938.00 g/mol
Exact Mass2934.13
IUPAC Name4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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
SMILESCOc1cccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)c1.Cc1ccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)cc1.Cc1nc(Nc2nccc(-c3ccn(C(CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccc1F.O=c1cc(-c2ccnc(NC3CCCNC3)n2)ccn1C(CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)C=CC2.O=c1cc(-c2ccnc(NC3CNC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H24N4O2.C23H18ClF2N5O2.C23H26N4O3.C23H26N4O2.C22H23ClFN5O2.C22H23ClN4O2.C20H19ClFN5O2/c29-23-15-20(22-6-10-25-24(27-22)26-21-8-12-30-13-9-21)7-11-28(23)16-17-4-5-18-2-1-3-19(18)14-17;1-13-17(25)4-5-21(28-13)30-23-27-8-6-19(29-23)14-7-9-31(22(33)11-14)20(12-32)15-2-3-16(24)18(26)10-15;1-29-20-4-2-3-17(15-20)6-11-27-12-7-18(16-22(27)28)21-5-10-24-23(26-21)25-19-8-13-30-14-9-19;1-17-2-4-18(5-3-17)7-12-27-13-8-19(16-22(27)28)21-6-11-24-23(26-21)25-20-9-14-29-15-10-20;23-17-4-3-15(10-18(17)24)20(13-30)29-9-6-14(11-21(29)31)19-5-8-26-22(28-19)27-16-2-1-7-25-12-16;23-18-3-1-16(2-4-18)6-11-27-12-7-17(15-21(27)28)20-5-10-24-22(26-20)25-19-8-13-29-14-9-19;21-15-2-1-13(7-16(15)22)18(11-28)27-6-4-12(8-19(27)29)17-3-5-24-20(26-17)25-14-9-23-10-14/h1,3-7,10-11,14-15,21H,2,8-9,12-13,16H2,(H,25,26,27);2-11,20,32H,12H2,1H3,(H,27,28,29,30);2-5,7,10,12,15-16,19H,6,8-9,11,13-14H2,1H3,(H,24,25,26);2-6,8,11,13,16,20H,7,9-10,12,14-15H2,1H3,(H,24,25,26);3-6,8-11,16,20,25,30H,1-2,7,12-13H2,(H,26,27,28);1-5,7,10,12,15,19H,6,8-9,11,13-14H2,(H,24,25,26);1-8,14,18,23,28H,9-11H2,(H,24,25,26)/t;;;;;;18-/m......1/s1
InChIKeyKQJRMTKUKVRYTG-UQTKDWPTSA-N
XLogP23.07
TPSA562.46 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds42
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002938.00
LogP ≤ 523.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Analyze 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 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
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-[(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
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-[5-(4-chlorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide;1-[5-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;2-[5-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(1-hydroxy-5-phenylpyridin-1-ium-2-yl)acetamide;1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
CID 157296923

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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?
The IUPAC name of 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 (CID 159210091) is 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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.
What is the SMILES notation for 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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?
The canonical SMILES for 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 is COc1cccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)c1.Cc1ccc(CCn2ccc(-c3ccnc(NC4CCOCC4)n3)cc2=O)cc1.Cc1nc(Nc2nccc(-c3ccn(C(CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)ccc1F.O=c1cc(-c2ccnc(NC3CCCNC3)n2)ccn1C(CO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)cc1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2c(c1)C=CC2.O=c1cc(-c2ccnc(NC3CNC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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?
The InChIKey is KQJRMTKUKVRYTG-UQTKDWPTSA-N. The full InChI is InChI=1S/C24H24N4O2.C23H18ClF2N5O2.C23H26N4O3.C23H26N4O2.C22H23ClFN5O2.C22H23ClN4O2.C20H19ClFN5O2/c29-23-15-20(22-6-10-25-24(27-22)26-21-8-12-30-13-9-21)7-11-28(23)16-17-4-5-18-2-1-3-19(18)14-17;1-13-17(25)4-5-21(28-13)30-23-27-8-6-19(29-23)14-7-9-31(22(33)11-14)20(12-32)15-2-3-16(24)18(26)10-15;1-29-20-4-2-3-17(15-20)6-11-27-12-7-18(16-22(27)28)21-5-10-24-23(26-21)25-19-8-13-30-14-9-19;1-17-2-4-18(5-3-17)7-12-27-13-8-19(16-22(27)28)21-6-11-24-23(26-21)25-20-9-14-29-15-10-20;23-17-4-3-15(10-18(17)24)20(13-30)29-9-6-14(11-21(29)31)19-5-8-26-22(28-19)27-16-2-1-7-25-12-16;23-18-3-1-16(2-4-18)6-11-27-12-7-17(15-21(27)28)20-5-10-24-22(26-20)25-19-8-13-29-14-9-19;21-15-2-1-13(7-16(15)22)18(11-28)27-6-4-12(8-19(27)29)17-3-5-24-20(26-17)25-14-9-23-10-14/h1,3-7,10-11,14-15,21H,2,8-9,12-13,16H2,(H,25,26,27);2-11,20,32H,12H2,1H3,(H,27,28,29,30);2-5,7,10,12,15-16,19H,6,8-9,11,13-14H2,1H3,(H,24,25,26);2-6,8,11,13,16,20H,7,9-10,12,14-15H2,1H3,(H,24,25,26);3-6,8-11,16,20,25,30H,1-2,7,12-13H2,(H,26,27,28);1-5,7,10,12,15,19H,6,8-9,11,13-14H2,(H,24,25,26);1-8,14,18,23,28H,9-11H2,(H,24,25,26)/t;;;;;;18-/m......1/s1.
What are the key properties of 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 has a molecular weight of 2938.00 g/mol, XLogP of 23.07, 42 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylamino)pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;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 is sourced from PubChem (CID 159210091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).