1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one

C162H154Cl5F11N38O16 — CID 161424012

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one
SMILESCCc1nn(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1n[nH]c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1nn(C)c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@@H](CO)c1cccc(F)c1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@H](CO)c1cccc(F)c1
InChIInChI=1S/2C25H23ClF2N6O2.2C23H22ClFN6O2.C22H20ClFN6O2.2C22H22F2N4O3/c2*1-33-14-17(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;1-13-22(14(2)30(3)29-13)28-23-26-8-6-19(27-23)15-7-9-31(21(33)11-15)20(12-32)16-4-5-17(24)18(25)10-16;1-3-18-20(12-30(2)29-18)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;1-12-21(13(2)29-28-12)27-22-25-7-5-18(26-22)14-6-8-30(20(32)10-14)19(11-31)15-3-4-16(23)17(24)9-15;2*23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24/h2*2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-11,20,32H,12H2,1-3H3,(H,26,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,27,28);3-10,19,31H,11H2,1-2H3,(H,28,29)(H,25,26,27);2*1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27)/t2*24-;20-;21-;19-;17-,19-,20+;17-,19-,20-/m0011111/s1
InChIKeyVXCPYTBHQIPUCK-IXODJAJGSA-N
MW3275.51 g/mol
LogP24.78
Rot. Bonds43

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one (PubChem CID 161424012) has the molecular formula C162H154Cl5F11N38O16 and a molecular weight of 3275.51 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one
PubChem CID161424012
Molecular FormulaC162H154Cl5F11N38O16
Molecular Weight3275.51 g/mol
Exact Mass3271.07
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one
SMILESCCc1nn(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1n[nH]c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1nn(C)c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@@H](CO)c1cccc(F)c1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@H](CO)c1cccc(F)c1
InChIInChI=1S/2C25H23ClF2N6O2.2C23H22ClFN6O2.C22H20ClFN6O2.2C22H22F2N4O3/c2*1-33-14-17(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;1-13-22(14(2)30(3)29-13)28-23-26-8-6-19(27-23)15-7-9-31(21(33)11-15)20(12-32)16-4-5-17(24)18(25)10-16;1-3-18-20(12-30(2)29-18)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;1-12-21(13(2)29-28-12)27-22-25-7-5-18(26-22)14-6-8-30(20(32)10-14)19(11-31)15-3-4-16(23)17(24)9-15;2*23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24/h2*2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-11,20,32H,12H2,1-3H3,(H,26,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,27,28);3-10,19,31H,11H2,1-2H3,(H,28,29)(H,25,26,27);2*1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27)/t2*24-;20-;21-;19-;17-,19-,20+;17-,19-,20-/m0011111/s1
InChIKeyVXCPYTBHQIPUCK-IXODJAJGSA-N
XLogP24.78
TPSA656.70 Ų
H-Bond Donors13
H-Bond Acceptors53
Rotatable Bonds43
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003275.51
LogP ≤ 524.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1053

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one with MolForge

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[[3-[[6-[1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[(5-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]methyl]-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 123571974
1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-[[6-[1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[[1-[[6-[1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]methyl]pyrazol-4-yl]amino]pyrimidin-4-yl]methyl]-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 123637974
1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 157491418
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-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-cyclopropyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158670830
1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 159253337
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;6-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1H-pyrimidin-2-one;1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 159650306
1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 160553182
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;6-[3-(4-chlorophenyl)-5-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1H-pyrimidin-2-one;1-[4-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluoro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 160923544
1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 161842970
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one (CID 161424012) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one is CCc1nn(C)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1n[nH]c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1nn(C)c(C)c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.Cn1cc([C@H](c2ccc(Cl)c(F)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@@H](CO)c1cccc(F)c1.O=c1cc(-c2ccnc(N[C@@H]3CCOC[C@H]3F)n2)ccn1[C@H](CO)c1cccc(F)c1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one?
The InChIKey is VXCPYTBHQIPUCK-IXODJAJGSA-N. The full InChI is InChI=1S/2C25H23ClF2N6O2.2C23H22ClFN6O2.C22H20ClFN6O2.2C22H22F2N4O3/c2*1-33-14-17(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;1-13-22(14(2)30(3)29-13)28-23-26-8-6-19(27-23)15-7-9-31(21(33)11-15)20(12-32)16-4-5-17(24)18(25)10-16;1-3-18-20(12-30(2)29-18)28-23-26-8-6-19(27-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;1-12-21(13(2)29-28-12)27-22-25-7-5-18(26-22)14-6-8-30(20(32)10-14)19(11-31)15-3-4-16(23)17(24)9-15;2*23-16-3-1-2-15(10-16)20(12-29)28-8-5-14(11-21(28)30)18-4-7-25-22(26-18)27-19-6-9-31-13-17(19)24/h2*2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32);4-11,20,32H,12H2,1-3H3,(H,26,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,27,28);3-10,19,31H,11H2,1-2H3,(H,28,29)(H,25,26,27);2*1-5,7-8,10-11,17,19-20,29H,6,9,12-13H2,(H,25,26,27)/t2*24-;20-;21-;19-;17-,19-,20+;17-,19-,20-/m0011111/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one has a molecular weight of 3275.51 g/mol, XLogP of 24.78, 43 rotatable bonds, 13 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;bis(1-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one);4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]-1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one is sourced from PubChem (CID 161424012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).