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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C311H327F5N69O21S6- — CID 160720952

IUPAC6-[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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccsc2CCOC)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C(F)(F)F)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(CC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2CS(=O)[O-])c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2scnc2C2CCCC2)c1=O.CCn1nccc1Cn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.CN(C)CCc1cccc(F)c1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CCCC4)c(=O)n(Cc4cccn4-c4ccccc4)c3n2)cc1)C1CCNCC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(C#CC(=O)N(C)C)c(=O)n(-c5ccncc5)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5cncn5-c5nccs5)c4n3)cc2)C1.O=c1c(C#CC2CC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1Cc1cnsc1-n1cccn1
InChIInChI=1S/C37H39N7O.C35H37F2N7O.C33H34N8O3S.C32H38N6O4S.C31H34N10O.C30H28N8O2S.C30H31N7O2.C30H32N6O2S2.C29H31N5O3S.C24H24F3N5O2/c1-42(32-19-21-38-22-20-32)31-17-15-30(16-18-31)40-37-39-25-29-24-28(14-13-27-8-5-6-9-27)36(45)44(35(29)41-37)26-34-12-7-23-43(34)33-10-3-2-4-11-33;1-42(2)17-14-25-8-5-9-30(36)29(25)23-44-33-27(20-26(34(44)45)11-10-24-6-3-4-7-24)22-39-35(41-33)40-28-12-13-32(31(37)21-28)43-18-15-38-16-19-43;1-39-14-4-6-29(21-39)44-28-11-8-25(9-12-28)37-32-36-18-24-17-23(7-10-27-5-2-3-15-43-27)31(42)40(30(24)38-32)20-26-19-34-22-41(26)33-35-13-16-45-33;1-4-37(5-2)16-12-25-19-27-20-33-32(34-28-8-6-23(7-9-28)18-24-10-14-36(3)15-11-24)35-30(27)38(31(25)39)21-26-13-17-42-29(26)22-43(40)41;1-4-41-27(13-15-35-41)21-40-29-23(18-22(30(40)42)7-12-28-33-16-17-38(28)2)19-34-31(37-29)36-24-8-10-25(11-9-24)39(3)26-6-5-14-32-20-26;39-28-21(5-4-20-2-3-20)16-22-17-32-30(35-24-6-8-25(9-7-24)40-26-10-13-31-14-11-26)36-27(22)37(28)19-23-18-34-41-29(23)38-15-1-12-33-38;1-35(2)27(38)11-8-23-18-24-19-32-30(34-28(24)37(29(23)39)26-12-14-31-15-13-26)33-25-9-6-21(7-10-25)17-22-5-4-16-36(3)20-22;1-2-38-13-11-22-15-23-16-32-30(34-24-9-7-20(8-10-24)25-17-31-12-14-39-25)35-28(23)36(29(22)37)18-26-27(33-19-40-26)21-5-3-4-6-21;1-3-5-20-16-22-17-31-29(32-23-7-9-24(10-8-23)37-25-6-4-13-30-18-25)33-27(22)34(28(20)35)19-21-12-15-38-26(21)11-14-36-2;1-15(2)4-5-16-12-17-13-28-23(30-21(17)32(22(16)33)24(25,26)27)29-18-6-8-19(9-7-18)34-20-10-11-31(3)14-20/h2-4,7,10-12,15-18,23-25,27,32,38H,5-6,8-9,19-22,26H2,1H3,(H,39,40,41);5-6,8-9,12-13,20-22,38H,3-4,7,14-19,23H2,1-2H3,(H,39,40,41);8-9,11-13,16-19,22,27,29H,2-6,14-15,20-21H2,1H3,(H,36,37,38);6-9,13,17,19-20,24H,4-5,10-11,14-15,18,21-22H2,1-3H3,(H,40,41)(H,33,34,35);8-11,13,15-19,26,32H,4-6,14,20-21H2,1-3H3,(H,34,36,37);1,6-9,12,15-18,20,26,31H,2-3,10-11,13-14,19H2,(H,32,35,36);6-7,9-10,12-15,18-19,22H,4-5,16-17,20H2,1-3H3,(H,32,33,34);7-10,15-16,19,21,25,31H,2-6,12,14,17-18H2,1H3,(H,32,34,35);7-10,12,15-17,25,30H,4,6,11,13-14,18-19H2,1-2H3,(H,31,32,33);6-9,12-13,15,20H,10-11,14H2,1-3H3,(H,28,29,30)/p-1
InChIKeyDCABGYQRYSRWLP-UHFFFAOYSA-M
MW5654.89 g/mol
LogP43.99
Rot. Bonds71

About 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160720952) has the molecular formula C311H327F5N69O21S6- and a molecular weight of 5654.89 g/mol. Its IUPAC name is 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID160720952
Molecular FormulaC311H327F5N69O21S6-
Molecular Weight5654.89 g/mol
Exact Mass5650.49
IUPAC Name6-[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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccsc2CCOC)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C(F)(F)F)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(CC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2CS(=O)[O-])c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2scnc2C2CCCC2)c1=O.CCn1nccc1Cn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.CN(C)CCc1cccc(F)c1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CCCC4)c(=O)n(Cc4cccn4-c4ccccc4)c3n2)cc1)C1CCNCC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(C#CC(=O)N(C)C)c(=O)n(-c5ccncc5)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5cncn5-c5nccs5)c4n3)cc2)C1.O=c1c(C#CC2CC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1Cc1cnsc1-n1cccn1
InChIInChI=1S/C37H39N7O.C35H37F2N7O.C33H34N8O3S.C32H38N6O4S.C31H34N10O.C30H28N8O2S.C30H31N7O2.C30H32N6O2S2.C29H31N5O3S.C24H24F3N5O2/c1-42(32-19-21-38-22-20-32)31-17-15-30(16-18-31)40-37-39-25-29-24-28(14-13-27-8-5-6-9-27)36(45)44(35(29)41-37)26-34-12-7-23-43(34)33-10-3-2-4-11-33;1-42(2)17-14-25-8-5-9-30(36)29(25)23-44-33-27(20-26(34(44)45)11-10-24-6-3-4-7-24)22-39-35(41-33)40-28-12-13-32(31(37)21-28)43-18-15-38-16-19-43;1-39-14-4-6-29(21-39)44-28-11-8-25(9-12-28)37-32-36-18-24-17-23(7-10-27-5-2-3-15-43-27)31(42)40(30(24)38-32)20-26-19-34-22-41(26)33-35-13-16-45-33;1-4-37(5-2)16-12-25-19-27-20-33-32(34-28-8-6-23(7-9-28)18-24-10-14-36(3)15-11-24)35-30(27)38(31(25)39)21-26-13-17-42-29(26)22-43(40)41;1-4-41-27(13-15-35-41)21-40-29-23(18-22(30(40)42)7-12-28-33-16-17-38(28)2)19-34-31(37-29)36-24-8-10-25(11-9-24)39(3)26-6-5-14-32-20-26;39-28-21(5-4-20-2-3-20)16-22-17-32-30(35-24-6-8-25(9-7-24)40-26-10-13-31-14-11-26)36-27(22)37(28)19-23-18-34-41-29(23)38-15-1-12-33-38;1-35(2)27(38)11-8-23-18-24-19-32-30(34-28(24)37(29(23)39)26-12-14-31-15-13-26)33-25-9-6-21(7-10-25)17-22-5-4-16-36(3)20-22;1-2-38-13-11-22-15-23-16-32-30(34-24-9-7-20(8-10-24)25-17-31-12-14-39-25)35-28(23)36(29(22)37)18-26-27(33-19-40-26)21-5-3-4-6-21;1-3-5-20-16-22-17-31-29(32-23-7-9-24(10-8-23)37-25-6-4-13-30-18-25)33-27(22)34(28(20)35)19-21-12-15-38-26(21)11-14-36-2;1-15(2)4-5-16-12-17-13-28-23(30-21(17)32(22(16)33)24(25,26)27)29-18-6-8-19(9-7-18)34-20-10-11-31(3)14-20/h2-4,7,10-12,15-18,23-25,27,32,38H,5-6,8-9,19-22,26H2,1H3,(H,39,40,41);5-6,8-9,12-13,20-22,38H,3-4,7,14-19,23H2,1-2H3,(H,39,40,41);8-9,11-13,16-19,22,27,29H,2-6,14-15,20-21H2,1H3,(H,36,37,38);6-9,13,17,19-20,24H,4-5,10-11,14-15,18,21-22H2,1-3H3,(H,40,41)(H,33,34,35);8-11,13,15-19,26,32H,4-6,14,20-21H2,1-3H3,(H,34,36,37);1,6-9,12,15-18,20,26,31H,2-3,10-11,13-14,19H2,(H,32,35,36);6-7,9-10,12-15,18-19,22H,4-5,16-17,20H2,1-3H3,(H,32,33,34);7-10,15-16,19,21,25,31H,2-6,12,14,17-18H2,1H3,(H,32,34,35);7-10,12,15-17,25,30H,4,6,11,13-14,18-19H2,1-2H3,(H,31,32,33);6-9,12-13,15,20H,10-11,14H2,1-3H3,(H,28,29,30)/p-1
InChIKeyDCABGYQRYSRWLP-UHFFFAOYSA-M
XLogP43.99
TPSA965.40 Ų
H-Bond Donors16
H-Bond Acceptors94
Rotatable Bonds71
Heavy Atoms412
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005654.89
LogP ≤ 543.99
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1094

Analyze 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160720952) is 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccsc2CCOC)c1=O.CC(C)C#Cc1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C(F)(F)F)c1=O.CCN(C#Cc1cc2cnc(Nc3ccc(CC4CCN(C)CC4)cc3)nc2n(Cc2ccoc2CS(=O)[O-])c1=O)CC.CCOC#Cc1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(Cc2scnc2C2CCCC2)c1=O.CCn1nccc1Cn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.CN(C)CCc1cccc(F)c1Cn1c(=O)c(C#CC2=CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN(c1ccc(Nc2ncc3cc(C#CC4CCCC4)c(=O)n(Cc4cccn4-c4ccccc4)c3n2)cc1)C1CCNCC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(C#CC(=O)N(C)C)c(=O)n(-c5ccncc5)c4n3)cc2)C1.CN1CCCC(Oc2ccc(Nc3ncc4cc(C#CC5CCCCO5)c(=O)n(Cc5cncn5-c5nccs5)c4n3)cc2)C1.O=c1c(C#CC2CC2)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1Cc1cnsc1-n1cccn1.
What is the InChIKey of 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DCABGYQRYSRWLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H39N7O.C35H37F2N7O.C33H34N8O3S.C32H38N6O4S.C31H34N10O.C30H28N8O2S.C30H31N7O2.C30H32N6O2S2.C29H31N5O3S.C24H24F3N5O2/c1-42(32-19-21-38-22-20-32)31-17-15-30(16-18-31)40-37-39-25-29-24-28(14-13-27-8-5-6-9-27)36(45)44(35(29)41-37)26-34-12-7-23-43(34)33-10-3-2-4-11-33;1-42(2)17-14-25-8-5-9-30(36)29(25)23-44-33-27(20-26(34(44)45)11-10-24-6-3-4-7-24)22-39-35(41-33)40-28-12-13-32(31(37)21-28)43-18-15-38-16-19-43;1-39-14-4-6-29(21-39)44-28-11-8-25(9-12-28)37-32-36-18-24-17-23(7-10-27-5-2-3-15-43-27)31(42)40(30(24)38-32)20-26-19-34-22-41(26)33-35-13-16-45-33;1-4-37(5-2)16-12-25-19-27-20-33-32(34-28-8-6-23(7-9-28)18-24-10-14-36(3)15-11-24)35-30(27)38(31(25)39)21-26-13-17-42-29(26)22-43(40)41;1-4-41-27(13-15-35-41)21-40-29-23(18-22(30(40)42)7-12-28-33-16-17-38(28)2)19-34-31(37-29)36-24-8-10-25(11-9-24)39(3)26-6-5-14-32-20-26;39-28-21(5-4-20-2-3-20)16-22-17-32-30(35-24-6-8-25(9-7-24)40-26-10-13-31-14-11-26)36-27(22)37(28)19-23-18-34-41-29(23)38-15-1-12-33-38;1-35(2)27(38)11-8-23-18-24-19-32-30(34-28(24)37(29(23)39)26-12-14-31-15-13-26)33-25-9-6-21(7-10-25)17-22-5-4-16-36(3)20-22;1-2-38-13-11-22-15-23-16-32-30(34-24-9-7-20(8-10-24)25-17-31-12-14-39-25)35-28(23)36(29(22)37)18-26-27(33-19-40-26)21-5-3-4-6-21;1-3-5-20-16-22-17-31-29(32-23-7-9-24(10-8-23)37-25-6-4-13-30-18-25)33-27(22)34(28(20)35)19-21-12-15-38-26(21)11-14-36-2;1-15(2)4-5-16-12-17-13-28-23(30-21(17)32(22(16)33)24(25,26)27)29-18-6-8-19(9-7-18)34-20-10-11-31(3)14-20/h2-4,7,10-12,15-18,23-25,27,32,38H,5-6,8-9,19-22,26H2,1H3,(H,39,40,41);5-6,8-9,12-13,20-22,38H,3-4,7,14-19,23H2,1-2H3,(H,39,40,41);8-9,11-13,16-19,22,27,29H,2-6,14-15,20-21H2,1H3,(H,36,37,38);6-9,13,17,19-20,24H,4-5,10-11,14-15,18,21-22H2,1-3H3,(H,40,41)(H,33,34,35);8-11,13,15-19,26,32H,4-6,14,20-21H2,1-3H3,(H,34,36,37);1,6-9,12,15-18,20,26,31H,2-3,10-11,13-14,19H2,(H,32,35,36);6-7,9-10,12-15,18-19,22H,4-5,16-17,20H2,1-3H3,(H,32,33,34);7-10,15-16,19,21,25,31H,2-6,12,14,17-18H2,1H3,(H,32,34,35);7-10,12,15-17,25,30H,4,6,11,13-14,18-19H2,1-2H3,(H,31,32,33);6-9,12-13,15,20H,10-11,14H2,1-3H3,(H,28,29,30)/p-1.
What are the key properties of 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 5654.89 g/mol, XLogP of 43.99, 71 rotatable bonds, 16 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-(2-cyclopropylethynyl)-2-(4-piperidin-4-yloxyanilino)-8-[(5-pyrazol-1-yl-1,2-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;[3-[[6-[2-(diethylamino)ethynyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]furan-2-yl]methanesulfinate;N,N-dimethyl-3-[2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-7-oxo-8-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;8-[(2-ethylpyrazol-3-yl)methyl]-6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[2-(2-methoxyethyl)thiophen-3-yl]methyl]-2-(4-piperidin-3-yloxyanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(trifluoromethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160720952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).