1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C163H163Cl5F6N32O17 — CID 159291959

IUPAC1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCC(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2cc[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(N[C@@H]3C[C@@H]4C[C@H]3CO4)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H23ClF2N6O2.C24H26ClFN4O3.C23H22ClFN4O3.C23H24ClFN4O3.2C23H23N5O2.C22H22ClFN4O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15(31)12-22(17-2-3-19(25)20(26)13-17)30-9-5-16(14-23(30)32)21-4-8-27-24(29-21)28-18-6-10-33-11-7-18;24-17-2-1-14(8-18(17)25)21(11-30)29-6-4-13(9-22(29)31)19-3-5-26-23(27-19)28-20-10-16-7-15(20)12-32-16;24-18-2-1-16(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;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;29-22-14-17(21-5-9-24-23(27-21)26-18-7-11-30-12-8-18)6-10-28(22)15-19-13-16-3-1-2-4-20(16)25-19;23-18-2-1-15(13-19(18)24)4-9-28-10-5-16(14-21(28)29)20-3-8-25-22(27-20)26-17-6-11-30-12-7-17/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);2-5,8-9,13-15,18,22,31H,6-7,10-12H2,1H3,(H,27,28,29);1-6,8-9,15-16,20-21,30H,7,10-12H2,(H,26,27,28);1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);1-5,8-10,13-14,19,24H,6-7,11-12,15H2,(H,25,26,27);1-6,9-10,13-14,18,25H,7-8,11-12,15H2,(H,24,26,27);1-3,5,8,10,13-14,17H,4,6-7,9,11-12H2,(H,25,26,27)/t;;15-,16-,20+,21+;21-;;;/m..01.../s1
InChIKeyLAFWPTFJZIRFES-WXRYMBKXSA-N
MW3133.56 g/mol
LogP25.96
Rot. Bonds42

About 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 159291959) has the molecular formula C163H163Cl5F6N32O17 and a molecular weight of 3133.56 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID159291959
Molecular FormulaC163H163Cl5F6N32O17
Molecular Weight3133.56 g/mol
Exact Mass3129.12
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCC(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2cc[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(N[C@@H]3C[C@@H]4C[C@H]3CO4)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C25H23ClF2N6O2.C24H26ClFN4O3.C23H22ClFN4O3.C23H24ClFN4O3.2C23H23N5O2.C22H22ClFN4O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15(31)12-22(17-2-3-19(25)20(26)13-17)30-9-5-16(14-23(30)32)21-4-8-27-24(29-21)28-18-6-10-33-11-7-18;24-17-2-1-14(8-18(17)25)21(11-30)29-6-4-13(9-22(29)31)19-3-5-26-23(27-19)28-20-10-16-7-15(20)12-32-16;24-18-2-1-16(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;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;29-22-14-17(21-5-9-24-23(27-21)26-18-7-11-30-12-8-18)6-10-28(22)15-19-13-16-3-1-2-4-20(16)25-19;23-18-2-1-15(13-19(18)24)4-9-28-10-5-16(14-21(28)29)20-3-8-25-22(27-20)26-17-6-11-30-12-7-17/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);2-5,8-9,13-15,18,22,31H,6-7,10-12H2,1H3,(H,27,28,29);1-6,8-9,15-16,20-21,30H,7,10-12H2,(H,26,27,28);1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);1-5,8-10,13-14,19,24H,6-7,11-12,15H2,(H,25,26,27);1-6,9-10,13-14,18,25H,7-8,11-12,15H2,(H,24,26,27);1-3,5,8,10,13-14,17H,4,6-7,9,11-12H2,(H,25,26,27)/t;;15-,16-,20+,21+;21-;;;/m..01.../s1
InChIKeyLAFWPTFJZIRFES-WXRYMBKXSA-N
XLogP25.96
TPSA593.37 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds42
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.56
LogP ≤ 525.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

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Related Compounds

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-[(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
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
4-[2-[(5-bromo-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-(4,5-dichlorocyclohexa-1,5-dien-1-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157358734
1-[1-(4-chloro-3-fluorophenyl)ethenyl]-4-[2-[(2-ethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;[(2S)-2-(4-chloro-3-fluorophenyl)-2-[4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-oxo-1-pyridinyl]ethyl] acetate;1-[(1S)-1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(5-fluoro-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157456549
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-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-hydroxy-1-(1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157616762
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-(1,3-benzothiazol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indazol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-(1H-indol-7-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one)
CID 157710511
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
4-[2-[(5-bromo-2-methyl-4-pyridinyl)amino]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-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-(3,4-dichlorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 157754792

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 159291959) is 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is CC(O)CC(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O.Cn1cc(C(c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1CCc1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2ccccc2[nH]1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1ccc2cc[nH]c2c1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CCO)c1ccc(Cl)c(F)c1.O=c1cc(-c2ccnc(N[C@@H]3C[C@@H]4C[C@H]3CO4)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is LAFWPTFJZIRFES-WXRYMBKXSA-N. The full InChI is InChI=1S/C25H23ClF2N6O2.C24H26ClFN4O3.C23H22ClFN4O3.C23H24ClFN4O3.2C23H23N5O2.C22H22ClFN4O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18;1-15(31)12-22(17-2-3-19(25)20(26)13-17)30-9-5-16(14-23(30)32)21-4-8-27-24(29-21)28-18-6-10-33-11-7-18;24-17-2-1-14(8-18(17)25)21(11-30)29-6-4-13(9-22(29)31)19-3-5-26-23(27-19)28-20-10-16-7-15(20)12-32-16;24-18-2-1-16(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;29-22-14-18(20-4-9-25-23(27-20)26-19-6-11-30-12-7-19)5-10-28(22)15-16-1-2-17-3-8-24-21(17)13-16;29-22-14-17(21-5-9-24-23(27-21)26-18-7-11-30-12-8-18)6-10-28(22)15-19-13-16-3-1-2-4-20(16)25-19;23-18-2-1-15(13-19(18)24)4-9-28-10-5-16(14-21(28)29)20-3-8-25-22(27-20)26-17-6-11-30-12-7-17/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);2-5,8-9,13-15,18,22,31H,6-7,10-12H2,1H3,(H,27,28,29);1-6,8-9,15-16,20-21,30H,7,10-12H2,(H,26,27,28);1-4,8-9,13-14,17,21,30H,5-7,10-12H2,(H,26,27,28);1-5,8-10,13-14,19,24H,6-7,11-12,15H2,(H,25,26,27);1-6,9-10,13-14,18,25H,7-8,11-12,15H2,(H,24,26,27);1-3,5,8,10,13-14,17H,4,6-7,9,11-12H2,(H,25,26,27)/t;;15-,16-,20+,21+;21-;;;/m..01.../s1.
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3133.56 g/mol, XLogP of 25.96, 42 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(1S,4R,5R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(4-chloro-3-fluorophenyl)-3-hydroxypropyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-2-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-6-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 159291959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).