1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

C142H140Cl4F2N30O14 — CID 158951709

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C.COC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1c[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc12.Cn1ccc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc21.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C26H23ClFN5O3.2C24H25N5O2.C23H22ClFN6O2.C23H22ClN5O2.C22H23ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-28-10-5-18-3-2-17(14-22(18)28)16-29-11-6-19(15-23(29)30)21-4-9-25-24(27-21)26-20-7-12-31-13-8-20;1-16-14-26-22-12-17(2-3-20(16)22)15-29-9-5-18(13-23(29)30)21-4-8-25-24(28-21)27-19-6-10-31-11-7-19;1-3-20-19(12-27-30(20)2)29-23-26-8-6-18(28-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-6,9-11,14-15,20H,7-8,12-13,16H2,1H3,(H,25,26,27);2-5,8-9,12-14,19,26H,6-7,10-11,15H2,1H3,(H,25,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,28,29);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26)/t23-;;;21-;;17?,18?,20-/m1..1.1/s1
InChIKeyJLMXBXDBHIAINW-MZXLZFNKSA-N
MW2670.69 g/mol
LogP22.80
Rot. Bonds37

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 158951709) has the molecular formula C142H140Cl4F2N30O14 and a molecular weight of 2670.69 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID158951709
Molecular FormulaC142H140Cl4F2N30O14
Molecular Weight2670.69 g/mol
Exact Mass2666.99
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C.COC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1c[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc12.Cn1ccc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc21.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C26H23ClFN5O3.2C24H25N5O2.C23H22ClFN6O2.C23H22ClN5O2.C22H23ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-28-10-5-18-3-2-17(14-22(18)28)16-29-11-6-19(15-23(29)30)21-4-9-25-24(27-21)26-20-7-12-31-13-8-20;1-16-14-26-22-12-17(2-3-20(16)22)15-29-9-5-18(13-23(29)30)21-4-8-25-24(28-21)27-19-6-10-31-11-7-19;1-3-20-19(12-27-30(20)2)29-23-26-8-6-18(28-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-6,9-11,14-15,20H,7-8,12-13,16H2,1H3,(H,25,26,27);2-5,8-9,12-14,19,26H,6-7,10-11,15H2,1H3,(H,25,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,28,29);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26)/t23-;;;21-;;17?,18?,20-/m1..1.1/s1
InChIKeyJLMXBXDBHIAINW-MZXLZFNKSA-N
XLogP22.80
TPSA532.92 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds37
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.69
LogP ≤ 522.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one with MolForge

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Related Compounds

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
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-[(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
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
1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(1H-pyrrol-3-yloxy)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-2-[3-(3-fluoro-3-methylpyrrolidin-1-yl)propoxy]-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1H-pyrrol-3-yloxy)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157172081
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-[1-(4-chloro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]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-[1-(4-fluoro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-methoxyphenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157513573
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-[(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-[2-[(3-methyltriazol-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-[1-(5-fluoro-1H-indol-2-yl)ethyl]-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;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 157945002
1-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;bis(1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-hydroxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one);1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157984177
1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine
CID 158447542
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethoxy-2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[2-[[(2S)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[2-(3-fluorophenyl)ethyl]-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
CID 158576255

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one (CID 158951709) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is CCc1c(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cnn1C.COC1CC(Nc2nccc(-c3ccn([C@H](CO)c4cccc(Cl)c4)c(=O)c3)n2)C1.COc1cnc(C2CC2)cc1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1.Cc1c[nH]c2cc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)ccc12.Cn1ccc2ccc(Cn3ccc(-c4ccnc(NC5CCOCC5)n4)cc3=O)cc21.O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1Cc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is JLMXBXDBHIAINW-MZXLZFNKSA-N. The full InChI is InChI=1S/C26H23ClFN5O3.2C24H25N5O2.C23H22ClFN6O2.C23H22ClN5O2.C22H23ClN4O3/c1-36-24-13-30-21(15-2-3-15)12-22(24)32-26-29-8-6-20(31-26)16-7-9-33(25(35)11-16)23(14-34)17-4-5-18(27)19(28)10-17;1-28-10-5-18-3-2-17(14-22(18)28)16-29-11-6-19(15-23(29)30)21-4-9-25-24(27-21)26-20-7-12-31-13-8-20;1-16-14-26-22-12-17(2-3-20(16)22)15-29-9-5-18(13-23(29)30)21-4-8-25-24(28-21)27-19-6-10-31-11-7-19;1-3-20-19(12-27-30(20)2)29-23-26-8-6-18(28-23)14-7-9-31(22(33)11-14)21(13-32)15-4-5-16(24)17(25)10-15;24-17-1-2-20-16(11-17)12-19(26-20)14-29-8-4-15(13-22(29)30)21-3-7-25-23(28-21)27-18-5-9-31-10-6-18;1-30-18-11-17(12-18)25-22-24-7-5-19(26-22)14-6-8-27(21(29)10-14)20(13-28)15-3-2-4-16(23)9-15/h4-13,15,23,34H,2-3,14H2,1H3,(H,29,30,31,32);2-6,9-11,14-15,20H,7-8,12-13,16H2,1H3,(H,25,26,27);2-5,8-9,12-14,19,26H,6-7,10-11,15H2,1H3,(H,25,27,28);4-12,21,32H,3,13H2,1-2H3,(H,26,28,29);1-4,7-8,11-13,18,26H,5-6,9-10,14H2,(H,25,27,28);2-10,17-18,20,28H,11-13H2,1H3,(H,24,25,26)/t23-;;;21-;;17?,18?,20-/m1..1.1/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 2670.69 g/mol, XLogP of 22.80, 37 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-cyclopropyl-5-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(5-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[(3-methoxycyclobutyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 158951709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).