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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one

C157H144Cl4F6N40O15 — CID 160919899

IUPAC1-[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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESC=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CC)n2)cc1=O.CC(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3C)n2)cc1=O.CCn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.COc1ccc(Cn2ccc(-c3ccnc(Nc4ccnn4C)n3)cc2=O)cc1.Cn1nccc1Nc1nccc(-c2ccn([C@H](CCO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2[nH]ccc2cc1F.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C24H24FN5O3.C23H20ClFN6O3.C23H22FN5O2.2C22H20ClFN6O2.C22H18ClFN6O.C21H20N6O2/c25-17-1-2-19-16(11-17)12-21(28-19)22(14-31)30-8-4-15(13-23(30)32)20-3-7-26-24(29-20)27-18-5-9-33-10-6-18;1-14(32)34-13-20(16-3-4-17(24)18(25)11-16)31-10-7-15(12-22(31)33)19-5-8-26-23(28-19)29-21-6-9-27-30(21)2;24-19-11-15-1-6-25-21(15)12-17(19)14-29-8-3-16(13-22(29)30)20-2-7-26-23(28-20)27-18-4-9-31-10-5-18;1-29-20(5-9-26-29)28-22-25-8-4-18(27-22)14-6-10-30(21(32)13-14)19(7-11-31)15-2-3-16(23)17(24)12-15;1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15;1-3-30-20(7-10-26-30)28-22-25-9-6-19(27-22)16-8-11-29(21(31)13-16)14(2)15-4-5-17(23)18(24)12-15;1-26-19(8-11-23-26)25-21-22-10-7-18(24-21)16-9-12-27(20(28)13-16)14-15-3-5-17(29-2)6-4-15/h1-4,7-8,11-13,18,22,28,31H,5-6,9-10,14H2,(H,26,27,29);3-12,20H,13H2,1-2H3,(H,26,28,29);1-3,6-8,11-13,18,25H,4-5,9-10,14H2,(H,26,27,28);2-6,8-10,12-13,19,31H,7,11H2,1H3,(H,25,27,28);3-12,19,31H,2,13H2,1H3,(H,25,27,28);4-13H,2-3H2,1H3,(H,25,27,28);3-13H,14H2,1-2H3,(H,22,24,25)/t22-;20-;;2*19-;;/m11.11../s1
InChIKeySRWSJYPRLOGIEW-PBOSNRDISA-N
MW3086.94 g/mol
LogP24.99
Rot. Bonds44

About 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one

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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one (PubChem CID 160919899) has the molecular formula C157H144Cl4F6N40O15 and a molecular weight of 3086.94 g/mol. Its IUPAC name is 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID160919899
Molecular FormulaC157H144Cl4F6N40O15
Molecular Weight3086.94 g/mol
Exact Mass3083.04
IUPAC Name1-[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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESC=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CC)n2)cc1=O.CC(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3C)n2)cc1=O.CCn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.COc1ccc(Cn2ccc(-c3ccnc(Nc4ccnn4C)n3)cc2=O)cc1.Cn1nccc1Nc1nccc(-c2ccn([C@H](CCO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2[nH]ccc2cc1F.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C24H24FN5O3.C23H20ClFN6O3.C23H22FN5O2.2C22H20ClFN6O2.C22H18ClFN6O.C21H20N6O2/c25-17-1-2-19-16(11-17)12-21(28-19)22(14-31)30-8-4-15(13-23(30)32)20-3-7-26-24(29-20)27-18-5-9-33-10-6-18;1-14(32)34-13-20(16-3-4-17(24)18(25)11-16)31-10-7-15(12-22(31)33)19-5-8-26-23(28-19)29-21-6-9-27-30(21)2;24-19-11-15-1-6-25-21(15)12-17(19)14-29-8-3-16(13-22(29)30)20-2-7-26-23(28-20)27-18-4-9-31-10-5-18;1-29-20(5-9-26-29)28-22-25-8-4-18(27-22)14-6-10-30(21(32)13-14)19(7-11-31)15-2-3-16(23)17(24)12-15;1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15;1-3-30-20(7-10-26-30)28-22-25-9-6-19(27-22)16-8-11-29(21(31)13-16)14(2)15-4-5-17(23)18(24)12-15;1-26-19(8-11-23-26)25-21-22-10-7-18(24-21)16-9-12-27(20(28)13-16)14-15-3-5-17(29-2)6-4-15/h1-4,7-8,11-13,18,22,28,31H,5-6,9-10,14H2,(H,26,27,29);3-12,20H,13H2,1-2H3,(H,26,28,29);1-3,6-8,11-13,18,25H,4-5,9-10,14H2,(H,26,27,28);2-6,8-10,12-13,19,31H,7,11H2,1H3,(H,25,27,28);3-12,19,31H,2,13H2,1H3,(H,25,27,28);4-13H,2-3H2,1H3,(H,25,27,28);3-13H,14H2,1-2H3,(H,22,24,25)/t22-;20-;;2*19-;;/m11.11../s1
InChIKeySRWSJYPRLOGIEW-PBOSNRDISA-N
XLogP24.99
TPSA654.03 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds44
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.94
LogP ≤ 524.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one with MolForge

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Related Compounds

4-[2-(3-chloro-4-methoxyindazol-1-yl)ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(4-methoxyindazol-1-yl)ethylamino]-1H-pyridin-2-one;3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[2-(pyridin-2-ylamino)ethylamino]-1H-pyridin-2-one
CID 157831369
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-4-pyrrolidin-1-ylbutan-1-one;(2R)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;ethyl 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidine-1-carboxylate;ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate;propan-2-yl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate
CID 158549203
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-[(3-ethyl-1-methylpyrazol-5-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-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158993534
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxamide;4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
CID 159057715
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-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 159269092
(3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)-4-propylphenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;2-O-benzyl 3-O-ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)-4-[(E)-prop-1-enyl]phenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate;ethyl (3S)-8-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)-4-propylphenyl]ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate
CID 160666628
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 160733835
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355
N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 162158567
1-[4-[3-(3-chlorophenyl)-4-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-(3-fluorophenyl)-4-pyrimidin-4-yl-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-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 162235611
2-Methoxyethyl 6-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-(2-pyrazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157064022

Frequently Asked Questions

What is the IUPAC name of 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one (CID 160919899) is 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one is C=C(c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3CC)n2)cc1=O.CC(=O)OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(Nc3ccnn3C)n2)cc1=O.CCn1nccc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.COc1ccc(Cn2ccc(-c3ccnc(Nc4ccnn4C)n3)cc2=O)cc1.Cn1nccc1Nc1nccc(-c2ccn([C@H](CCO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2[nH]ccc2cc1F.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The InChIKey is SRWSJYPRLOGIEW-PBOSNRDISA-N. The full InChI is InChI=1S/C24H24FN5O3.C23H20ClFN6O3.C23H22FN5O2.2C22H20ClFN6O2.C22H18ClFN6O.C21H20N6O2/c25-17-1-2-19-16(11-17)12-21(28-19)22(14-31)30-8-4-15(13-23(30)32)20-3-7-26-24(29-20)27-18-5-9-33-10-6-18;1-14(32)34-13-20(16-3-4-17(24)18(25)11-16)31-10-7-15(12-22(31)33)19-5-8-26-23(28-19)29-21-6-9-27-30(21)2;24-19-11-15-1-6-25-21(15)12-17(19)14-29-8-3-16(13-22(29)30)20-2-7-26-23(28-20)27-18-4-9-31-10-5-18;1-29-20(5-9-26-29)28-22-25-8-4-18(27-22)14-6-10-30(21(32)13-14)19(7-11-31)15-2-3-16(23)17(24)12-15;1-2-30-20(6-9-26-30)28-22-25-8-5-18(27-22)14-7-10-29(21(32)12-14)19(13-31)15-3-4-16(23)17(24)11-15;1-3-30-20(7-10-26-30)28-22-25-9-6-19(27-22)16-8-11-29(21(31)13-16)14(2)15-4-5-17(23)18(24)12-15;1-26-19(8-11-23-26)25-21-22-10-7-18(24-21)16-9-12-27(20(28)13-16)14-15-3-5-17(29-2)6-4-15/h1-4,7-8,11-13,18,22,28,31H,5-6,9-10,14H2,(H,26,27,29);3-12,20H,13H2,1-2H3,(H,26,28,29);1-3,6-8,11-13,18,25H,4-5,9-10,14H2,(H,26,27,28);2-6,8-10,12-13,19,31H,7,11H2,1H3,(H,25,27,28);3-12,19,31H,2,13H2,1H3,(H,25,27,28);4-13H,2-3H2,1H3,(H,25,27,28);3-13H,14H2,1-2H3,(H,22,24,25)/t22-;20-;;2*19-;;/m11.11../s1.
What are the key properties of 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one has a molecular weight of 3086.94 g/mol, XLogP of 24.99, 44 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 160919899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).