2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C305H319Cl3FN65O20S5 — CID 162091948

IUPAC2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc2n(Cc2cccc(C3CCOCC3)c2)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2scnc2Cl)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2occc2C2CCCC2)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2cnncc2CCOC)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(Cc2cnsc2Cl)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.[C-]#[N+]c1ccccc1Cn1c(=O)c(C#CC)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C35H38N4O2S.C33H41N9O2.C33H30N6O2S.C33H38N6O2.C32H34FN7O5S.C29H32ClN7OS.C29H27N7O.C28H29N7O.C28H27N5O2.C25H23Cl2N7O2S/c1-24(2)9-10-29-21-30-22-36-35(37-31-13-11-27(12-14-31)32-8-3-4-19-42-32)38-33(30)39(34(29)40)23-25-6-5-7-28(20-25)26-15-17-41-18-16-26;1-5-41(6-2)16-13-24-18-26-19-35-33(38-28-9-11-29(12-10-28)40(3)30-8-7-15-34-22-30)39-31(26)42(32(24)43)23-27-21-37-36-20-25(27)14-17-44-4;1-38-16-14-28(21-38)41-27-12-10-26(11-13-27)36-33-35-19-25-18-23(9-8-22-6-7-22)32(40)39(30(25)37-33)20-24-4-2-3-5-29(24)31-34-15-17-42-31;1-3-38(4-2)17-14-25-19-27-21-35-33(36-28-11-9-23(10-12-28)26-13-16-34-20-26)37-31(27)39(32(25)40)22-30-29(15-18-41-30)24-7-5-6-8-24;1-2-44-16-9-23-19-25-21-35-32(36-26-7-8-28(27(33)20-26)38-12-10-34-11-13-38)37-30(25)40(31(23)41)22-24-5-3-4-6-29(24)46(42,43)39-14-17-45-18-15-39;1-4-36(5-2)14-12-21-15-23-16-31-29(34-27(23)37(28(21)38)18-25-26(30)32-19-39-25)33-24-10-8-20(9-11-24)22-7-6-13-35(3)17-22;1-4-7-21-18-23-19-31-29(32-24-10-12-25(13-11-24)35-16-14-34(3)15-17-35)33-27(23)36(28(21)37)20-22-8-5-6-9-26(22)30-2;1-4-6-21-17-22-18-30-28(31-23-8-10-24(11-9-23)34-15-13-33(3)14-16-34)32-26(22)35(27(21)36)19-25-20(2)7-5-12-29-25;1-3-6-21-15-23-16-30-28(31-24-11-9-20(10-12-24)25-17-29-13-14-35-25)32-26(23)33(27(21)34)18-22-8-5-4-7-19(22)2;1-2-36-10-5-16-11-17-13-29-25(32-23(17)34(24(16)35)15-18-14-30-37-22(18)27)31-19-3-4-21(20(26)12-19)33-8-6-28-7-9-33/h5-7,11-14,20-22,24,26,32H,3-4,8,15-19,23H2,1-2H3,(H,36,37,38);9-12,18-21,30,34H,5-8,14-15,17,22-23H2,1-4H3,(H,35,38,39);2-5,10-13,15,17-19,22,28H,6-7,14,16,20-21H2,1H3,(H,35,36,37);9-12,15,18-19,21,24,26,34H,3-8,13,16,20,22H2,1-2H3,(H,35,36,37);3-8,19-21,34H,2,10-15,17-18,22H2,1H3,(H,35,36,37);8-11,15-16,19,22H,4-7,13,17-18H2,1-3H3,(H,31,33,34);5-6,8-13,18-19H,14-17,20H2,1,3H3,(H,31,32,33);5,7-12,17-18H,13-16,19H2,1-3H3,(H,30,31,32);4-5,7-12,15-16,25,29H,13-14,17-18H2,1-2H3,(H,30,31,32);3-4,11-14,28H,2,6-9,15H2,1H3,(H,29,31,32)
InChIKeyZDSUDNNGCHZFFU-UHFFFAOYSA-N
MW5501.03 g/mol
LogP45.30
Rot. Bonds68

About 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 162091948) has the molecular formula C305H319Cl3FN65O20S5 and a molecular weight of 5501.03 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID162091948
Molecular FormulaC305H319Cl3FN65O20S5
Molecular Weight5501.03 g/mol
Exact Mass5495.36
IUPAC Name2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc2n(Cc2cccc(C3CCOCC3)c2)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2scnc2Cl)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2occc2C2CCCC2)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2cnncc2CCOC)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(Cc2cnsc2Cl)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.[C-]#[N+]c1ccccc1Cn1c(=O)c(C#CC)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C35H38N4O2S.C33H41N9O2.C33H30N6O2S.C33H38N6O2.C32H34FN7O5S.C29H32ClN7OS.C29H27N7O.C28H29N7O.C28H27N5O2.C25H23Cl2N7O2S/c1-24(2)9-10-29-21-30-22-36-35(37-31-13-11-27(12-14-31)32-8-3-4-19-42-32)38-33(30)39(34(29)40)23-25-6-5-7-28(20-25)26-15-17-41-18-16-26;1-5-41(6-2)16-13-24-18-26-19-35-33(38-28-9-11-29(12-10-28)40(3)30-8-7-15-34-22-30)39-31(26)42(32(24)43)23-27-21-37-36-20-25(27)14-17-44-4;1-38-16-14-28(21-38)41-27-12-10-26(11-13-27)36-33-35-19-25-18-23(9-8-22-6-7-22)32(40)39(30(25)37-33)20-24-4-2-3-5-29(24)31-34-15-17-42-31;1-3-38(4-2)17-14-25-19-27-21-35-33(36-28-11-9-23(10-12-28)26-13-16-34-20-26)37-31(27)39(32(25)40)22-30-29(15-18-41-30)24-7-5-6-8-24;1-2-44-16-9-23-19-25-21-35-32(36-26-7-8-28(27(33)20-26)38-12-10-34-11-13-38)37-30(25)40(31(23)41)22-24-5-3-4-6-29(24)46(42,43)39-14-17-45-18-15-39;1-4-36(5-2)14-12-21-15-23-16-31-29(34-27(23)37(28(21)38)18-25-26(30)32-19-39-25)33-24-10-8-20(9-11-24)22-7-6-13-35(3)17-22;1-4-7-21-18-23-19-31-29(32-24-10-12-25(13-11-24)35-16-14-34(3)15-17-35)33-27(23)36(28(21)37)20-22-8-5-6-9-26(22)30-2;1-4-6-21-17-22-18-30-28(31-23-8-10-24(11-9-23)34-15-13-33(3)14-16-34)32-26(22)35(27(21)36)19-25-20(2)7-5-12-29-25;1-3-6-21-15-23-16-30-28(31-24-11-9-20(10-12-24)25-17-29-13-14-35-25)32-26(23)33(27(21)34)18-22-8-5-4-7-19(22)2;1-2-36-10-5-16-11-17-13-29-25(32-23(17)34(24(16)35)15-18-14-30-37-22(18)27)31-19-3-4-21(20(26)12-19)33-8-6-28-7-9-33/h5-7,11-14,20-22,24,26,32H,3-4,8,15-19,23H2,1-2H3,(H,36,37,38);9-12,18-21,30,34H,5-8,14-15,17,22-23H2,1-4H3,(H,35,38,39);2-5,10-13,15,17-19,22,28H,6-7,14,16,20-21H2,1H3,(H,35,36,37);9-12,15,18-19,21,24,26,34H,3-8,13,16,20,22H2,1-2H3,(H,35,36,37);3-8,19-21,34H,2,10-15,17-18,22H2,1H3,(H,35,36,37);8-11,15-16,19,22H,4-7,13,17-18H2,1-3H3,(H,31,33,34);5-6,8-13,18-19H,14-17,20H2,1,3H3,(H,31,32,33);5,7-12,17-18H,13-16,19H2,1-3H3,(H,30,31,32);4-5,7-12,15-16,25,29H,13-14,17-18H2,1-2H3,(H,30,31,32);3-4,11-14,28H,2,6-9,15H2,1H3,(H,29,31,32)
InChIKeyZDSUDNNGCHZFFU-UHFFFAOYSA-N
XLogP45.30
TPSA893.96 Ų
H-Bond Donors15
H-Bond Acceptors87
Rotatable Bonds68
Heavy Atoms399
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005501.03
LogP ≤ 545.30
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1087

Analyze 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(3-methylbut-1-ynyl)-8-[(5-methyl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-[[4-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-8-[(2-fluoro-6-phenylphenyl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[(2-ethylfuran-3-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[7-oxo-8-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-methyl-1,3-oxazol-5-yl)methyl]-6-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-8-[(5-morpholin-4-ylsulfonyl-1,2-oxazol-4-yl)methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-2-yl)ethynyl]-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159998957
8-[(5-ethyl-1,3-oxazol-4-yl)methyl]-6-[2-(2-fluorophenoxy)ethynyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-ethynyl-2-[4-(1-methylpiperidin-4-yl)anilino]-8-[(2-pyrazol-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-(2-methoxyethyl)phenyl]methyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-6-[2-(1-methylsulfanylpiperidin-4-yl)ethynyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(4-methylphenyl)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(3-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;dihydrate
CID 160680871
8-[(3-chloro-2-pyridinyl)methyl]-6-(3-methylbut-1-ynyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(cyclopenten-1-yl)ethynyl]-8-(2-methoxyethyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-8-[(2-ethylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(4-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159939224
6-[2-(cyclopenten-1-yl)ethynyl]-8-[[2-[2-(dimethylamino)ethyl]-6-fluorophenyl]methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-[(1-phenylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopentyl-1,3-thiazol-5-yl)methyl]-6-(2-ethoxyethynyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen
CID 161364164
8-[(5-cyclopropylpyridazin-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)-8-[[3-(oxan-4-yl)-2-pyridinyl]methyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-(4-piperazin-1-ylanilino)-8-[(4-pyridin-3-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159830137
6-(1-cyclopropylethenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(2-propan-2-ylsulfonylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[[1-methyl-4-(1,3-thiazol-2-ylsulfonyl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(2-methoxyethylsulfinyl)thiophen-2-yl]methyl]-6-(3-methylbut-1-en-2-yl)-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylcyclopenten-1-yl)-2-(4-piperidin-4-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160675506
6-(2-chloro-4-methylphenyl)-8-[[3-(oxan-4-yl)-4-pyridinyl]methyl]-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-(4-piperidin-3-yloxyanilino)-8-[(2-pyrrolidin-3-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-2-(4-piperidin-4-yloxyanilino)-8-[(3-pyridin-4-yltriazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[4-(1,3-thiazol-2-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160947406
bis(8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one);8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161032732
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-3-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(4-methyl-2-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 158009039
8-[[3-(benzenesulfinyl)thiophen-2-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopentylsulfinyl-1-methyltriazol-4-yl)methyl]-6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-[2-(dimethylamino)ethylsulfonyl]thiophen-3-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-ylsulfonyl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161320151
6-(2-cyclopentylethynyl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-[[4-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 90078784
8-cyclopentyl-6-[2,6-dichloro-4-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)phenyl]-2-[4-(piperidin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-6-(3-thiophen-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)methyl]anilino]-8-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethylsulfonyl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(oxan-4-ylsulfonyl)phenyl]-8-phenyl-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 159123895

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 162091948) is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ccccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(C4CCCCS4)cc3)nc2n(Cc2cccc(C3CCOCC3)c2)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(Cc2scnc2Cl)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2occc2C2CCCC2)c1=O)CC.CCN(C#Cc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(Cc2cnncc2CCOC)c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(Cc2cnsc2Cl)c1=O.CCOC#Cc1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2S(=O)(=O)N2CCOCC2)c1=O.CN1CCC(Oc2ccc(Nc3ncc4cc(C#CC5CC5)c(=O)n(Cc5ccccc5-c5nccs5)c4n3)cc2)C1.[C-]#[N+]c1ccccc1Cn1c(=O)c(C#CC)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZDSUDNNGCHZFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O2S.C33H41N9O2.C33H30N6O2S.C33H38N6O2.C32H34FN7O5S.C29H32ClN7OS.C29H27N7O.C28H29N7O.C28H27N5O2.C25H23Cl2N7O2S/c1-24(2)9-10-29-21-30-22-36-35(37-31-13-11-27(12-14-31)32-8-3-4-19-42-32)38-33(30)39(34(29)40)23-25-6-5-7-28(20-25)26-15-17-41-18-16-26;1-5-41(6-2)16-13-24-18-26-19-35-33(38-28-9-11-29(12-10-28)40(3)30-8-7-15-34-22-30)39-31(26)42(32(24)43)23-27-21-37-36-20-25(27)14-17-44-4;1-38-16-14-28(21-38)41-27-12-10-26(11-13-27)36-33-35-19-25-18-23(9-8-22-6-7-22)32(40)39(30(25)37-33)20-24-4-2-3-5-29(24)31-34-15-17-42-31;1-3-38(4-2)17-14-25-19-27-21-35-33(36-28-11-9-23(10-12-28)26-13-16-34-20-26)37-31(27)39(32(25)40)22-30-29(15-18-41-30)24-7-5-6-8-24;1-2-44-16-9-23-19-25-21-35-32(36-26-7-8-28(27(33)20-26)38-12-10-34-11-13-38)37-30(25)40(31(23)41)22-24-5-3-4-6-29(24)46(42,43)39-14-17-45-18-15-39;1-4-36(5-2)14-12-21-15-23-16-31-29(34-27(23)37(28(21)38)18-25-26(30)32-19-39-25)33-24-10-8-20(9-11-24)22-7-6-13-35(3)17-22;1-4-7-21-18-23-19-31-29(32-24-10-12-25(13-11-24)35-16-14-34(3)15-17-35)33-27(23)36(28(21)37)20-22-8-5-6-9-26(22)30-2;1-4-6-21-17-22-18-30-28(31-23-8-10-24(11-9-23)34-15-13-33(3)14-16-34)32-26(22)35(27(21)36)19-25-20(2)7-5-12-29-25;1-3-6-21-15-23-16-30-28(31-24-11-9-20(10-12-24)25-17-29-13-14-35-25)32-26(23)33(27(21)34)18-22-8-5-4-7-19(22)2;1-2-36-10-5-16-11-17-13-29-25(32-23(17)34(24(16)35)15-18-14-30-37-22(18)27)31-19-3-4-21(20(26)12-19)33-8-6-28-7-9-33/h5-7,11-14,20-22,24,26,32H,3-4,8,15-19,23H2,1-2H3,(H,36,37,38);9-12,18-21,30,34H,5-8,14-15,17,22-23H2,1-4H3,(H,35,38,39);2-5,10-13,15,17-19,22,28H,6-7,14,16,20-21H2,1H3,(H,35,36,37);9-12,15,18-19,21,24,26,34H,3-8,13,16,20,22H2,1-2H3,(H,35,36,37);3-8,19-21,34H,2,10-15,17-18,22H2,1H3,(H,35,36,37);8-11,15-16,19,22H,4-7,13,17-18H2,1-3H3,(H,31,33,34);5-6,8-13,18-19H,14-17,20H2,1,3H3,(H,31,32,33);5,7-12,17-18H,13-16,19H2,1-3H3,(H,30,31,32);4-5,7-12,15-16,25,29H,13-14,17-18H2,1-2H3,(H,30,31,32);3-4,11-14,28H,2,6-9,15H2,1H3,(H,29,31,32).
What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 5501.03 g/mol, XLogP of 45.30, 68 rotatable bonds, 15 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(5-chloro-1,2-thiazol-4-yl)methyl]-6-(2-ethoxyethynyl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-chloro-1,3-thiazol-5-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylfuran-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylethynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(diethylamino)ethynyl]-8-[[5-(2-methoxyethyl)pyridazin-4-yl]methyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(2-isocyanophenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-8-[[3-(oxan-4-yl)phenyl]methyl]-2-[4-(thian-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-[(3-methyl-2-pyridinyl)methyl]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162091948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).