6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C294H305F4N64O20S7+ — CID 158876657

IUPAC6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(-c2ccccc2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2nccnc2S(C)(=O)=O)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccnc2-c2nccs2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2nn(C)cc2C2CCOCC2)c1=O.CC[N+]1=CCC=C1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc21.CCc1scnc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CC4)c(=O)n(Cc4c(F)cccc4S(C)(=O)=O)c3n2)cc1)C1CCNCC1.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1sncc1Cn1c(=O)c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.O=c1c(C#CC2=CCCC2)cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc2n1Cc1sccc1N1CCOCC1
InChIInChI=1S/C34H36N6O2S.C32H33FN6O3S.C32H38N6O.C31H36N8O3.C31H30N8OS.C29H30N6O2S.C28H29N7O3S.C27H27N7O3S.C25H24F3N5O.C25H21N5OS/c41-33-27(8-5-24-3-1-2-4-24)20-28-22-36-34(37-29-9-6-25(7-10-29)19-26-11-13-35-21-26)38-32(28)40(33)23-31-30(12-18-43-31)39-14-16-42-17-15-39;1-38(26-14-16-34-17-15-26)25-12-10-24(11-13-25)36-32-35-19-23-18-22(9-8-21-6-7-21)31(40)39(30(23)37-32)20-27-28(33)4-3-5-29(27)43(2,41)42;1-5-37-17-7-9-29(37)22-38-30-27(19-26(31(38)39)13-10-23(2)3)20-33-32(35-30)34-28-14-11-24(12-15-28)18-25-8-6-16-36(4)21-25;1-3-41-15-10-23-18-24-19-33-31(34-25-4-6-26(7-5-25)38-13-11-32-12-14-38)35-29(24)39(30(23)40)21-28-27(20-37(2)36-28)22-8-16-42-17-9-22;1-20(2)5-6-22-16-24-18-36-31(37-25-9-7-21(8-10-25)23-4-3-11-32-17-23)38-28(24)39(30(22)40)19-26-27(34-13-12-33-26)29-35-14-15-41-29;1-19-23(16-32-38-19)18-35-27-22(14-21(28(35)36)7-6-20-4-2-3-5-20)15-31-29(34-27)33-24-8-10-25(11-9-24)37-26-12-13-30-17-26;1-4-24-22(31-17-39-24)16-35-26-20(13-19(27(35)37)7-10-25(36)34(2)3)14-30-28(33-26)32-21-8-5-18(6-9-21)23-15-29-11-12-38-23;1-3-4-20-15-21-16-31-27(32-22-7-5-18(6-8-22)19-9-11-28-12-10-19)33-24(21)34(26(20)35)17-23-25(38(2,36)37)30-14-13-29-23;1-32-11-10-19(14-32)17-6-8-21(9-7-17)30-24-29-13-20-12-18(5-4-16-2-3-16)23(34)33(22(20)31-24)15-25(26,27)28;1-2-17-14-19-15-27-25(29-23(19)30(24(17)31)21-6-4-3-5-7-21)28-20-10-8-18(9-11-20)22-16-26-12-13-32-22/h3,6-7,9-10,12,18,20,22,26,35H,1-2,4,11,13-17,19,21,23H2,(H,36,37,38);3-5,10-13,18-19,21,26,34H,6-7,14-17,20H2,1-2H3,(H,35,36,37);9,11-12,14-15,17,19-20,23,25H,5-8,16,18,21-22H2,1-4H3;4-7,18-20,22,32H,3,8-9,11-14,16-17,21H2,1-2H3,(H,33,34,35);7-10,12-16,18,20,23,32H,3-4,11,17,19H2,1-2H3,(H,36,37,38);8-11,14-16,20,26,30H,2-5,12-13,17-18H2,1H3,(H,31,33,34);5-6,8-9,13-14,17,23,29H,4,11-12,15-16H2,1-3H3,(H,30,32,33);5-8,13-16,19,28H,9-12,17H2,1-2H3,(H,31,32,33);6-9,12-13,16,19H,2-3,10-11,14-15H2,1H3,(H,29,30,31);1,3-11,14-15,22,26H,12-13,16H2,(H,27,28,29)/p+1
InChIKeyWDPMJWBGIULHRN-UHFFFAOYSA-O
MW5355.56 g/mol
LogP40.04
Rot. Bonds60

About 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158876657) has the molecular formula C294H305F4N64O20S7+ and a molecular weight of 5355.56 g/mol. Its IUPAC name is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID158876657
Molecular FormulaC294H305F4N64O20S7+
Molecular Weight5355.56 g/mol
Exact Mass5351.28
IUPAC Name6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESC#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(-c2ccccc2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2nccnc2S(C)(=O)=O)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccnc2-c2nccs2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2nn(C)cc2C2CCOCC2)c1=O.CC[N+]1=CCC=C1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc21.CCc1scnc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CC4)c(=O)n(Cc4c(F)cccc4S(C)(=O)=O)c3n2)cc1)C1CCNCC1.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1sncc1Cn1c(=O)c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.O=c1c(C#CC2=CCCC2)cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc2n1Cc1sccc1N1CCOCC1
InChIInChI=1S/C34H36N6O2S.C32H33FN6O3S.C32H38N6O.C31H36N8O3.C31H30N8OS.C29H30N6O2S.C28H29N7O3S.C27H27N7O3S.C25H24F3N5O.C25H21N5OS/c41-33-27(8-5-24-3-1-2-4-24)20-28-22-36-34(37-29-9-6-25(7-10-29)19-26-11-13-35-21-26)38-32(28)40(33)23-31-30(12-18-43-31)39-14-16-42-17-15-39;1-38(26-14-16-34-17-15-26)25-12-10-24(11-13-25)36-32-35-19-23-18-22(9-8-21-6-7-21)31(40)39(30(23)37-32)20-27-28(33)4-3-5-29(27)43(2,41)42;1-5-37-17-7-9-29(37)22-38-30-27(19-26(31(38)39)13-10-23(2)3)20-33-32(35-30)34-28-14-11-24(12-15-28)18-25-8-6-16-36(4)21-25;1-3-41-15-10-23-18-24-19-33-31(34-25-4-6-26(7-5-25)38-13-11-32-12-14-38)35-29(24)39(30(23)40)21-28-27(20-37(2)36-28)22-8-16-42-17-9-22;1-20(2)5-6-22-16-24-18-36-31(37-25-9-7-21(8-10-25)23-4-3-11-32-17-23)38-28(24)39(30(22)40)19-26-27(34-13-12-33-26)29-35-14-15-41-29;1-19-23(16-32-38-19)18-35-27-22(14-21(28(35)36)7-6-20-4-2-3-5-20)15-31-29(34-27)33-24-8-10-25(11-9-24)37-26-12-13-30-17-26;1-4-24-22(31-17-39-24)16-35-26-20(13-19(27(35)37)7-10-25(36)34(2)3)14-30-28(33-26)32-21-8-5-18(6-9-21)23-15-29-11-12-38-23;1-3-4-20-15-21-16-31-27(32-22-7-5-18(6-8-22)19-9-11-28-12-10-19)33-24(21)34(26(20)35)17-23-25(38(2,36)37)30-14-13-29-23;1-32-11-10-19(14-32)17-6-8-21(9-7-17)30-24-29-13-20-12-18(5-4-16-2-3-16)23(34)33(22(20)31-24)15-25(26,27)28;1-2-17-14-19-15-27-25(29-23(19)30(24(17)31)21-6-4-3-5-7-21)28-20-10-8-18(9-11-20)22-16-26-12-13-32-22/h3,6-7,9-10,12,18,20,22,26,35H,1-2,4,11,13-17,19,21,23H2,(H,36,37,38);3-5,10-13,18-19,21,26,34H,6-7,14-17,20H2,1-2H3,(H,35,36,37);9,11-12,14-15,17,19-20,23,25H,5-8,16,18,21-22H2,1-4H3;4-7,18-20,22,32H,3,8-9,11-14,16-17,21H2,1-2H3,(H,33,34,35);7-10,12-16,18,20,23,32H,3-4,11,17,19H2,1-2H3,(H,36,37,38);8-11,14-16,20,26,30H,2-5,12-13,17-18H2,1H3,(H,31,33,34);5-6,8-9,13-14,17,23,29H,4,11-12,15-16H2,1-3H3,(H,30,32,33);5-8,13-16,19,28H,9-12,17H2,1-2H3,(H,31,32,33);6-9,12-13,16,19H,2-3,10-11,14-15H2,1H3,(H,29,30,31);1,3-11,14-15,22,26H,12-13,16H2,(H,27,28,29)/p+1
InChIKeyWDPMJWBGIULHRN-UHFFFAOYSA-O
XLogP40.04
TPSA956.34 Ų
H-Bond Donors18
H-Bond Acceptors87
Rotatable Bonds60
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005355.56
LogP ≤ 540.04
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1087

Analyze 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 158876657) is 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(-c2ccccc2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2nccnc2S(C)(=O)=O)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nccnc2-c2nccs2)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2nn(C)cc2C2CCOCC2)c1=O.CC[N+]1=CCC=C1Cn1c(=O)c(C#CC(C)C)cc2cnc(Nc3ccc(CC4CCCN(C)C4)cc3)nc21.CCc1scnc1Cn1c(=O)c(C#CC(=O)N(C)C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CC4)c(=O)n(Cc4c(F)cccc4S(C)(=O)=O)c3n2)cc1)C1CCNCC1.CN1CCC(c2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1sncc1Cn1c(=O)c(C#CC2CCCC2)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.O=c1c(C#CC2=CCCC2)cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc2n1Cc1sccc1N1CCOCC1.
What is the InChIKey of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WDPMJWBGIULHRN-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H36N6O2S.C32H33FN6O3S.C32H38N6O.C31H36N8O3.C31H30N8OS.C29H30N6O2S.C28H29N7O3S.C27H27N7O3S.C25H24F3N5O.C25H21N5OS/c41-33-27(8-5-24-3-1-2-4-24)20-28-22-36-34(37-29-9-6-25(7-10-29)19-26-11-13-35-21-26)38-32(28)40(33)23-31-30(12-18-43-31)39-14-16-42-17-15-39;1-38(26-14-16-34-17-15-26)25-12-10-24(11-13-25)36-32-35-19-23-18-22(9-8-21-6-7-21)31(40)39(30(23)37-32)20-27-28(33)4-3-5-29(27)43(2,41)42;1-5-37-17-7-9-29(37)22-38-30-27(19-26(31(38)39)13-10-23(2)3)20-33-32(35-30)34-28-14-11-24(12-15-28)18-25-8-6-16-36(4)21-25;1-3-41-15-10-23-18-24-19-33-31(34-25-4-6-26(7-5-25)38-13-11-32-12-14-38)35-29(24)39(30(23)40)21-28-27(20-37(2)36-28)22-8-16-42-17-9-22;1-20(2)5-6-22-16-24-18-36-31(37-25-9-7-21(8-10-25)23-4-3-11-32-17-23)38-28(24)39(30(22)40)19-26-27(34-13-12-33-26)29-35-14-15-41-29;1-19-23(16-32-38-19)18-35-27-22(14-21(28(35)36)7-6-20-4-2-3-5-20)15-31-29(34-27)33-24-8-10-25(11-9-24)37-26-12-13-30-17-26;1-4-24-22(31-17-39-24)16-35-26-20(13-19(27(35)37)7-10-25(36)34(2)3)14-30-28(33-26)32-21-8-5-18(6-9-21)23-15-29-11-12-38-23;1-3-4-20-15-21-16-31-27(32-22-7-5-18(6-8-22)19-9-11-28-12-10-19)33-24(21)34(26(20)35)17-23-25(38(2,36)37)30-14-13-29-23;1-32-11-10-19(14-32)17-6-8-21(9-7-17)30-24-29-13-20-12-18(5-4-16-2-3-16)23(34)33(22(20)31-24)15-25(26,27)28;1-2-17-14-19-15-27-25(29-23(19)30(24(17)31)21-6-4-3-5-7-21)28-20-10-8-18(9-11-20)22-16-26-12-13-32-22/h3,6-7,9-10,12,18,20,22,26,35H,1-2,4,11,13-17,19,21,23H2,(H,36,37,38);3-5,10-13,18-19,21,26,34H,6-7,14-17,20H2,1-2H3,(H,35,36,37);9,11-12,14-15,17,19-20,23,25H,5-8,16,18,21-22H2,1-4H3;4-7,18-20,22,32H,3,8-9,11-14,16-17,21H2,1-2H3,(H,33,34,35);7-10,12-16,18,20,23,32H,3-4,11,17,19H2,1-2H3,(H,36,37,38);8-11,14-16,20,26,30H,2-5,12-13,17-18H2,1H3,(H,31,33,34);5-6,8-9,13-14,17,23,29H,4,11-12,15-16H2,1-3H3,(H,30,32,33);5-8,13-16,19,28H,9-12,17H2,1-2H3,(H,31,32,33);6-9,12-13,16,19H,2-3,10-11,14-15H2,1H3,(H,29,30,31);1,3-11,14-15,22,26H,12-13,16H2,(H,27,28,29)/p+1.
What are the key properties of 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 5355.56 g/mol, XLogP of 40.04, 60 rotatable bonds, 18 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopenten-1-yl)ethynyl]-8-[(3-morpholin-4-ylthiophen-2-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-fluoro-6-methylsulfonylphenyl)methyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-8-[[1-methyl-4-(oxan-4-yl)pyrazol-3-yl]methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(1-ethyl-3H-pyrrol-1-ium-5-yl)methyl]-6-(3-methylbut-1-ynyl)-2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one;3-[8-[(5-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-N,N-dimethylprop-2-ynamide;6-ethynyl-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-(4-piperidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-methylsulfonylpyrazin-2-yl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).